X2JFS7_DROME Loading...

Peptidase M14 domain-containing protein

AlphaFold DB , UniProt , Accession X2JFS7, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG4678, Length 523 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	33.8	Very low	235 Å²	235	145.8 Å²	145.8	100%	1.158	80%	0.804	S	S	*	*				0	95.2	0	-76	169.8	171.5	0	0	106
2	I	30.2	Very low	33.6	Very low	145 Å²	145	147.6 Å²	147.6	74%	0.744	80%	0.802	S	S	*	*				39.4	117	52.2	-20.3	-179.1	0	0	0	109.4
3	L	31.1	Very low	33.4	Very low	128 Å²	128	149.4 Å²	149.4	67%	0.67	81%	0.809	S	S	*	*				-172.4	160.1	57.2	-69.3	144.9	0	0	0	105.6
4	R	33.1	Very low	33.4	Very low	219 Å²	219	150.4 Å²	150.4	83%	0.826	81%	0.806	S	S	*	*			cis	-173	132.8	-0.5	-112.3	174.3	-173.2	172.9	11.2	106.4
5	T	38	Very low	33.3	Very low	127 Å²	127	150.5 Å²	150.5	78%	0.779	81%	0.805	S	S	*	*			trans	-58.8	166.1	148.5	39.9	0	0	0	0	109.9
6	P	47.1	Very low	33.3	Very low	104 Å²	104	149.8 Å²	149.8	68%	0.675	80%	0.8	S	S	*	*				-162.2	165.4	70.5	43.8	-20.3	0	0	0	121.8
7	L	32	Very low	33.3	Very low	160 Å²	160	149.8 Å²	149.8	84%	0.838	80%	0.799	S	S	*	*			trans	59.5	155.6	133.7	-70	161.1	0	0	0	119.4
8	V	31.2	Very low	33.3	Very low	121 Å²	121	149.9 Å²	149.9	73%	0.733	80%	0.799	S	S	*	*			cis	-178.6	150.4	-25.3	128.9	0	0	0	0	105.4
9	A	30.4	Very low	33.6	Very low	95 Å²	95	148.2 Å²	148.2	79%	0.785	80%	0.797	S	S	*	*			trans	44.9	126.1	154.8	0	0	0	0	0	123.1
10	G	28	Very low	33.7	Very low	67 Å²	67	146.6 Å²	146.6	69%	0.691	80%	0.798	S	S	*	*				100.8	117.3	114.3	0	0	0	0	0	118.3
11	H	31.5	Very low	34.1	Very low	203 Å²	203	146.2 Å²	146.2	94%	0.94	80%	0.8	S	S	*	*				-170.4	143.7	129.4	-107.3	43.3	0	0	0	112.7
12	Q	30.8	Very low	33.9	Very low	167 Å²	167	143.3 Å²	143.3	78%	0.78	79%	0.788	S	S	*	*			trans	-62.9	151.3	171.9	-66.8	176.9	-33.1	0	0	112
13	L	31.8	Very low	34.2	Very low	171 Å²	171	144.5 Å²	144.5	90%	0.895	80%	0.795	S	S	*	*			trans	-153.6	120.6	137.4	-134.9	80.8	0	0	0	110.3
14	Q	32.3	Very low	34.5	Very low	164 Å²	164	146.4 Å²	146.4	77%	0.766	81%	0.805	S	S	*	*			trans	-64.8	148.5	165.6	-81.8	151	-68.6	0	0	111.1
15	L	31.9	Very low	34.6	Very low	151 Å²	151	144.8 Å²	144.8	79%	0.791	81%	0.809	S	S	*	*			trans	-165.8	114.2	141.4	-124.6	84.5	0	0	0	112.1
16	L	33.1	Very low	34.5	Very low	140 Å²	140	146.1 Å²	146.1	73%	0.733	81%	0.81	S	S	*	*			trans	51.5	113.6	139.8	-60.2	161.9	0	0	0	120.1
17	L	33.8	Very low	33.8	Very low	149 Å²	149	150.3 Å²	150.3	78%	0.78	82%	0.821	S	S	*	*				48.9	115.3	81	-71.5	173.6	0	0	0	112.3
18	L	32.8	Very low	33.9	Very low	153 Å²	153	151.1 Å²	151.1	80%	0.801	83%	0.825	S	S	*	*			cis	-169.6	167.5	47	-94.6	149.4	0	0	0	111.2
19	P	39	Very low	34.1	Very low	117 Å²	117	152.8 Å²	152.8	76%	0.76	83%	0.829	S	S	*	*			trans	-96.4	142.6	-179.7	36.8	-28.1	0	0	0	113.1
20	S	37.2	Very low	34.3	Very low	116 Å²	116	156.4 Å²	156.4	81%	0.811	83%	0.834	S	S	*	*			trans	-142.2	74	-179.2	37.4	0	0	0	0	112.8
21	V	40.6	Very low	34.4	Very low	138 Å²	138	159.2 Å²	159.2	84%	0.836	84%	0.842	S	S	*	*			trans	-134.3	-0.4	165.6	-171.9	0	0	0	0	113.2	L23	V21-L23 PolarHBondContact O-N 3.07Å
22	L	35.9	Very low	34.4	Very low	174 Å²	174	156.6 Å²	156.6	91%	0.911	84%	0.835	S	S	*	*	S	Bend	trans	-101.2	32.9	-176.5	-147.3	81.2	0	0	0	114.8
23	L	37.3	Very low	34.4	Very low	170 Å²	170	153.4 Å²	153.4	89%	0.89	84%	0.837	S	S	*	*	S	Bend	trans	-135.4	30.9	-178.8	-134.3	94.6	0	0	0	114.6	V21	V21-L23 PolarHBondContact O-N 3.07Å
24	L	35.9	Very low	34.5	Very low	169 Å²	169	154.5 Å²	154.5	89%	0.885	83%	0.834	S	S	*	*	S	Bend	trans	-117.2	8.4	174.3	-127.6	99.3	0	0	0	114.6
25	M	36.4	Very low	34.6	Very low	185 Å²	185	153.5 Å²	153.5	91%	0.911	84%	0.84	S	S	*	*	S	Bend	trans	-115.7	31.3	-176.4	-80.9	-75.1	-172.9	0	0	113.2
26	L	34.9	Very low	34.6	Very low	154 Å²	154	153 Å²	153	81%	0.806	84%	0.843	S	S	*	*	S	Bend	trans	-150.8	44.5	178.5	-149.7	79.5	0	0	0	114.5
27	H	33.4	Very low	34.5	Very low	193 Å²	193	153.7 Å²	153.7	89%	0.894	85%	0.847	S	S	*	*	S	Bend	trans	-142.8	27.4	175.4	-107.4	59.7	0	0	0	114.9
28	L	32.7	Very low	34.7	Very low	177 Å²	177	152.7 Å²	152.7	93%	0.927	85%	0.85	S	S	*	*	S	Bend	trans	-128.1	24.8	173.8	-92.3	162	0	0	0	113.7
29	L	37	Very low	35	Very low	156 Å²	156	148.5 Å²	148.5	82%	0.817	84%	0.843	S	S	*	*	S	Bend	trans	-119.9	121	166.2	-84.4	155.6	0	0	0	108
30	L	34	Very low	34.7	Very low	170 Å²	170	151 Å²	151	89%	0.89	85%	0.85	S	S	*	*			trans	102.8	93.3	165.4	-56.9	152.7	0	0	0	116.7
31	C	29.6	Very low	34.4	Very low	126 Å²	126	151 Å²	151	85%	0.851	85%	0.85	S	S	*	*			trans	168.9	118	134.3	-91.8	0	0	0	0	105.5
32	D	30.9	Very low	34.1	Very low	148 Å²	148	152.5 Å²	152.5	79%	0.791	85%	0.85	S	S	*	*				-156.7	131.3	63.8	-119.1	-36.2	0	0	0	110.4
33	A	32.4	Very low	33.9	Very low	100 Å²	100	153.1 Å²	153.1	83%	0.826	85%	0.848	S	S	*	*			trans	-112.6	118	168	0	0	0	0	0	108.2
34	K	32.5	Very low	33.6	Very low	194 Å²	194	153.1 Å²	153.1	84%	0.843	85%	0.846	S	S	*	*			trans	-120.2	138.4	164.9	-82.5	-176.5	179.9	173.5	0	110.6
35	T	34.8	Very low	33.6	Very low	143 Å²	143	153 Å²	153	88%	0.877	84%	0.841	S	S	*	*			trans	-71.2	146.9	-171.8	42.4	0	0	0	0	113.3
36	V	31.9	Very low	33.6	Very low	141 Å²	141	153.1 Å²	153.1	86%	0.855	84%	0.838	S	S	*	*			trans	-120.2	130.5	173.1	175.2	0	0	0	0	108.6
37	N	30.5	Very low	33.5	Very low	155 Å²	155	154 Å²	154	83%	0.829	84%	0.838	S	S	*	*			trans	-86.6	152.2	171.4	-99.5	-19.6	0	0	0	111.1
38	P	39.8	Very low	33.6	Very low	128 Å²	128	153.1 Å²	153.1	83%	0.831	84%	0.835	S	S	*	*			trans	-93.9	131.3	-167.8	35.4	-29.8	0	0	0	112
39	G	38.3	Very low	33.7	Very low	64 Å²	64	153.5 Å²	153.5	66%	0.66	83%	0.834	S	S	*	*			trans	152.4	77	171.6	0	0	0	0	0	111.3
40	D	31.6	Very low	33.6	Very low	171 Å²	171	152.3 Å²	152.3	91%	0.914	83%	0.833	S	S	*	*			trans	-175.5	126.2	136.8	-91.6	-21.6	0	0	0	110.9
41	S	31.8	Very low	33.9	Very low	115 Å²	115	148.7 Å²	148.7	80%	0.804	83%	0.827	S	S	*	*			trans	-87.9	120.7	-178.5	51.6	0	0	0	0	111.7
42	M	35.2	Very low	34.3	Very low	169 Å²	169	151.1 Å²	151.1	83%	0.833	83%	0.827	S	S	*	*				60.1	103	129.6	-144.3	176.7	86	0	0	119.5
43	Q	30.5	Very low	34.8	Very low	187 Å²	187	149.8 Å²	149.8	87%	0.874	83%	0.826	S	S	*	*			trans	-138.3	113.5	135.9	-74.7	-167	-10	0	0	109.6	Q45	Q43-Q45 PolarHBondContact O-N 3.12Å
44	M	32.3	Very low	35.1	Very low	170 Å²	170	148.1 Å²	148.1	84%	0.837	82%	0.818	S	S	*	*			trans	-74.4	114.3	169.9	-77.3	-150.1	-58	0	0	109.5
45	Q	34.6	Very low	35.6	Very low	168 Å²	168	146.7 Å²	146.7	79%	0.785	82%	0.819	S	S	*	*			trans	-93.2	121.7	157.4	-78.3	-179.7	-13.8	0	0	108.6	Q43 H47	Q43-Q45 PolarHBondContact O-N 3.12Å; Q45-H47 PolarHBondContact O-N 3.28Å
46	H	37	Very low	36	Very low	186 Å²	186	145.4 Å²	145.4	86%	0.861	81%	0.813	S	S	*	*			trans	-64.2	97.3	171.1	-120.4	28.8	0	0	0	108.6	Q48	H46-Q48 PolarHBondContact O-N 3.26Å
47	H	33.5	Very low	37	Very low	174 Å²	174	147 Å²	147	81%	0.806	81%	0.811	S	S	*	*			trans	-84.6	101	166.2	-124.3	62	0	0	0	107.7	Q45 M49	Q45-H47 PolarHBondContact O-N 3.28Å; H47-M49 PolarHBondContact O-N 3.32Å; H47-M49 VanDerWaalsContact O-N 3.14Å
48	Q	34.8	Very low	37.7	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	81%	0.805	S	S	*	*			trans	-63.8	109.1	171.8	-161.6	165.4	6.6	0	0	107.2	H46 T50	H46-Q48 PolarHBondContact O-N 3.26Å; Q48-T50 PolarHBondContact O-N 2.8Å
49	M	34.3	Very low	38.5	Very low	185 Å²	185	147 Å²	147	91%	0.911	80%	0.797	S	S	*	*			trans	-60.5	103.1	169	-77.9	-179.8	-99.5	0	0	107.5	H47 A51	H47-M49 PolarHBondContact O-N 3.32Å; H47-M49 VanDerWaalsContact O-N 3.14Å; M49-A51 PolarHBondContact O-N 3.07Å
50	T	35.9	Very low	39.5	Very low	130 Å²	130	144.5 Å²	144.5	80%	0.798	77%	0.77	S	S	*	*			trans	-65	115.6	166.4	47.1	0	0	0	0	107.1	Q48 E52	Q48-T50 PolarHBondContact O-N 2.8Å; T50-E52 PolarHBondContact O-N 2.84Å
51	A	39.2	Very low	40.7	Very low	94 Å²	94	137 Å²	137	78%	0.777	73%	0.729	S	S	*	*			trans	-53.4	129.9	167.3	0	0	0	0	0	108.7	M49	M49-A51 PolarHBondContact O-N 3.07Å
52	E	38.4	Very low	42.1	Very low	178 Å²	178	135.1 Å²	135.1	83%	0.832	71%	0.708	S	S	*	*			trans	-44.4	131.4	160.1	-76.6	-84.7	150.7	0	0	108.3	T50 G54	T50-E52 PolarHBondContact O-N 2.84Å; E52-G54 PolarHBondContact O-N 3.27Å
53	P	42.6	Very low	43.2	Very low	119 Å²	119	130.5 Å²	130.5	77%	0.773	69%	0.691	S	S	*	*			trans	-63.3	108	172.7	24.7	-27.6	0	0	0	107	L55	P53-L55 PolarHBondContact O-N 3.43Å
54	G	38.5	Very low	44.6	Very low	65 Å²	65	127.6 Å²	127.6	67%	0.67	68%	0.682	S	S	*	*			trans	-49.4	138	172.2	0	0	0	0	0	109.2	E52	E52-G54 PolarHBondContact O-N 3.27Å
55	L	41.3	Very low	46	Very low	164 Å²	164	121 Å²	121	86%	0.859	65%	0.654	S	S	*	*			trans	-45.7	128.2	170.1	-75.6	160.6	0	0	0	107.9	P53 E57	P53-L55 PolarHBondContact O-N 3.43Å; L55-E57 PolarHBondContact O-N 2.98Å
56	P	44	Very low	47.6	Very low	116 Å²	116	120.9 Å²	120.9	75%	0.753	65%	0.653	S	S	*	*			trans	-57.1	122.8	177.8	21.5	-29.2	0	0	0	107.5
57	E	52	Low	49.7	Very low	175 Å²	175	116.8 Å²	116.8	82%	0.818	63%	0.634	S	S	*	*			trans	-51.7	133	169.6	-72.3	-133.9	155.1	0	0	108	L55 R59	L55-E57 PolarHBondContact O-N 2.98Å; E57-R59 PolarHBondContact O-N 3.03Å
58	P	46.4	Very low	52.6	Low	106 Å²	106	108.5 Å²	108.5	69%	0.688	60%	0.596	S	S	*	*			trans	-58.6	107.2	179.6	-18.8	29.4	0	0	0	108.8	A60 V71	P58-A60 PolarHBondContact O-N 2.62Å; P58-A60 VanDerWaalsContact O-N 3.14Å; P58-V71 HydrophobicContact CB-CG1 4.39Å
59	R	56.4	Low	55.4	Low	177 Å²	177	103.4 Å²	103.4	67%	0.668	57%	0.574	S	S	*	*			trans	-88	87.3	-178.2	-145.9	178.5	-179	170.7	0.2	107.4	E57 Y61 M62	E57-R59 PolarHBondContact O-N 3.03Å; R59-Y61 VanDerWaalsContact C-N 3.26Å; R59-Y61 PolarHBondContact O-N 3.02Å; R59-M62 HydrophobicContact CG-CG 4.49Å
60	A	59.3	Low	58.4	Low	11 Å²	11	96.8 Å²	96.8	9%	0.091	54%	0.541	C	S	.	.			trans	-43.6	-37.7	-161.5	0	0	0	0	0	117	P58 V71 H73 E77	P58-A60 PolarHBondContact O-N 2.62Å; P58-A60 VanDerWaalsContact O-N 3.14Å; A60-V71 HydrophobicContact CB-CG2 3.61Å; A60-H73 PolarHBondContact O-NE2 3.24Å; A60-H73 VanDerWaalsContact O-NE2 3.11Å; A60-E77 WeakPolarHBondContact CB-OE1 3.49Å
61	Y	57.4	Low	61.3	Low	14 Å²	14	92 Å²	92	6%	0.055	51%	0.511	C	S	.	.			trans	-158.9	124.5	168.5	177.2	-107.7	0	0	0	111.5	R59 L68 R80 F81 A84	R59-Y61 VanDerWaalsContact C-N 3.26Å; R59-Y61 PolarHBondContact O-N 3.02Å; Y61-L68 HydrophobicContact CD2-CD1 3.61Å; Y61-L68 HydrophobicContact CE2-CD1 4.33Å; Y61-L68 HydrophobicContact CG-CD1 4.06Å; Y61-R80 HydrophobicContact CD1-CG 4.4Å; Y61-F81 HydrophobicContact CD1-CB 3.95Å; Y61-F81 HydrophobicContact CD2-CD2 4.05Å; Y61-F81 HydrophobicContact CE1-CB 3.93Å; Y61-F81 HydrophobicContact CE1-CD2 4.29Å; Y61-F81 AromaticContact CE2-CD2 3.6Å; Y61-F81 HydrophobicContact CE2-CD2 3.6Å; Y61-F81 HydrophobicContact CE2-CE2 4.36Å; Y61-F81 HydrophobicContact CG-CB 4.28Å; Y61-F81 AromaticContact CZ-CD2 3.72Å; Y61-A84 HydrophobicContact CE1-CB 4.05Å; Y61-A84 WeakPolarHBondContact OH-CB 3.27Å
62	M	60.8	Low	64.1	Low	75 Å²	75	88.8 Å²	88.8	37%	0.369	48%	0.479	S	S	.	.			trans	-99.4	131.1	168.1	-60.5	-135	-113.7	0	0	110.3	R59 D64 A65	R59-M62 HydrophobicContact CG-CG 4.49Å; M62-D64 WeakPolarHBondContact CB-OD1 3.38Å; M62-D64 PolarHBondContact O-N 3.45Å; M62-A65 HydrophobicContact CB-CB 4.35Å; M62-A65 VanDerWaalsContact O-CB 3.23Å; M62-A65 WeakPolarHBondContact O-CB 3.29Å; M62-A65 PolarHBondContact O-N 3.44Å
63	P	57.6	Low	66.9	Low	73 Å²	73	80.3 Å²	80.3	47%	0.474	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.2	-177.2	-27.1	34.9	0	0	0	116	R80 A84 R88	P63-R80 HydrophobicContact CG-CG 4.03Å; P63-A84 HydrophobicContact CB-CB 4.38Å; P63-R88 PolarHBondContact O-NH2 2.96Å
64	D	59.6	Low	69.6	Low	126 Å²	126	78 Å²	78	67%	0.674	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-15.4	175.5	60.2	-9	0	0	0	113.2	M62 Q66	M62-D64 WeakPolarHBondContact CB-OD1 3.38Å; M62-D64 PolarHBondContact O-N 3.45Å; D64-Q66 PolarHBondContact O-N 3.13Å
65	A	62	Low	72.4	Confident	32 Å²	32	76.1 Å²	76.1	26%	0.264	39%	0.394	S	S	.	.			trans	-64	136.3	177.7	0	0	0	0	0	110.6	M62 H67 R88	M62-A65 HydrophobicContact CB-CB 4.35Å; M62-A65 VanDerWaalsContact O-CB 3.23Å; M62-A65 WeakPolarHBondContact O-CB 3.29Å; M62-A65 PolarHBondContact O-N 3.44Å; A65-H67 VanDerWaalsContact C-N 3.25Å; A65-R88 PolarHBondContact O-NH1 2.85Å; A65-R88 PolarHBondContact O-NH2 3.12Å
66	Q	68.1	Low	75.1	Confident	164 Å²	164	74.8 Å²	74.8	77%	0.766	38%	0.384	S	S	*	.	S	Bend	trans	-78.1	-14.2	172.9	-68.6	-172.4	6	0	0	112.5	D64	D64-Q66 PolarHBondContact O-N 3.13Å
67	H	81.8	Confident	77.6	Confident	100 Å²	100	71.4 Å²	71.4	46%	0.463	36%	0.358	S	S	.	.	S	Bend	trans	-124.7	139.2	-175.5	-160.6	75.7	0	0	0	111.8	A65 Q148	A65-H67 VanDerWaalsContact C-N 3.25Å; H67-Q148 VanDerWaalsContact CA-NE2 3.34Å; H67-Q148 PolarHBondContact ND1-NE2 3.02Å
68	L	93.8	Very high	79.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.319	C	S	.	.			trans	-84.8	131.7	168	-171.7	65.9	0	0	0	108.3	Y61 H73 F81 L144 H145	Y61-L68 HydrophobicContact CD2-CD1 3.61Å; Y61-L68 HydrophobicContact CE2-CD1 4.33Å; Y61-L68 HydrophobicContact CG-CD1 4.06Å; L68-H73 WeakPolarHBondContact CD1-NE2 3.3Å; L68-F81 HydrophobicContact CB-CD2 4.48Å; L68-F81 HydrophobicContact CB-CE2 4.11Å; L68-F81 HydrophobicContact CD1-CB 4.35Å; L68-F81 HydrophobicContact CD1-CD2 3.61Å; L68-F81 HydrophobicContact CD1-CE2 4.05Å; L68-F81 HydrophobicContact CD1-CG 3.96Å; L68-F81 HydrophobicContact CD2-CD2 4.34Å; L68-F81 HydrophobicContact CD2-CE1 4.29Å; L68-F81 HydrophobicContact CD2-CE2 4.11Å; L68-F81 HydrophobicContact CD2-CZ 4.08Å; L68-F81 HydrophobicContact CG-CD2 4.37Å; L68-F81 HydrophobicContact CG-CE2 4.33Å; L68-L144 HydrophobicContact CD2-CB 3.55Å; L68-L144 HydrophobicContact CD2-CD1 4.42Å; L68-H145 PolarHBondContact O-CE1 3.41Å
69	D	94.6	Very high	82.2	Confident	67 Å²	67	58.8 Å²	58.8	36%	0.358	29%	0.291	S	S	.	.			trans	-75.3	149.9	179.8	-68.4	-34.5	0	0	0	111.2	V71 H73	D69-V71 HydrophobicContact CB-CG1 4.47Å; D69-V71 HydrophobicContact CB-CG2 4.23Å; D69-V71 PolarHBondContact O-N 2.88Å; D69-H73 PolarHBondContact O-CE1 3.4Å; D69-H73 VanDerWaalsContact O-CE1 3.27Å
70	F	96.5	Very high	84.2	Confident	46 Å²	46	55 Å²	55	20%	0.202	28%	0.277	C	S	.	.	S	Bend	trans	-79.1	70.4	174.4	-74.5	-74.9	0	0	0	110.8	H145 L356 K357 W360	F70-H145 AromaticContact CD1-CD2 3.82Å; F70-H145 AromaticContact CD1-CE1 3.53Å; F70-H145 AromaticContact CD1-NE2 3.22Å; F70-H145 WeakPolarHBondContact CD1-NE2 3.24Å; F70-H145 AromaticContact CE1-CD2 3.62Å; F70-H145 AromaticContact CE1-CE1 3.51Å; F70-H145 AromaticContact CE1-CG 3.79Å; F70-H145 AromaticContact CE1-ND1 3.73Å; F70-H145 AromaticContact CE1-NE2 3.43Å; F70-H145 WeakPolarHBondContact CE1-NE2 3.41Å; F70-H145 AromaticContact CG-CE1 3.97Å; F70-H145 AromaticContact CG-NE2 3.95Å; F70-H145 AromaticContact CZ-CE1 3.94Å; F70-H145 AromaticContact CZ-ND1 3.96Å; F70-L356 HydrophobicContact CB-CB 4.21Å; F70-L356 HydrophobicContact CD1-CB 4.13Å; F70-K357 HydrophobicContact CB-CB 4.28Å; F70-K357 HydrophobicContact CD1-CB 4.06Å; F70-K357 HydrophobicContact CD2-CB 3.86Å; F70-K357 HydrophobicContact CD2-CD 4.32Å; F70-K357 HydrophobicContact CD2-CG 4.02Å; F70-K357 HydrophobicContact CE1-CB 4.38Å; F70-K357 HydrophobicContact CE2-CB 4.18Å; F70-K357 HydrophobicContact CE2-CD 4.35Å; F70-K357 HydrophobicContact CE2-CG 3.91Å; F70-K357 HydrophobicContact CG-CB 3.79Å; F70-K357 HydrophobicContact CG-CG 4.42Å; F70-K357 HydrophobicContact CZ-CB 4.42Å; F70-K357 HydrophobicContact CZ-CG 4.23Å; F70-W360 HydrophobicContact CE1-CB 3.52Å; F70-W360 AromaticContact CE1-CG 3.8Å; F70-W360 HydrophobicContact CE1-CG 3.8Å; F70-W360 HydrophobicContact CZ-CB 4.02Å; F70-W360 AromaticContact CZ-CD1 3.7Å; F70-W360 AromaticContact CZ-CG 3.89Å; F70-W360 HydrophobicContact CZ-CG 3.89Å
71	V	96.9	Very high	86	Confident	29 Å²	29	54.6 Å²	54.6	18%	0.176	27%	0.273	C	S	.	.	S	Bend	trans	-132.5	170.1	174.4	-60.6	0	0	0	0	109.8	P58 A60 D69 H73 L356	P58-V71 HydrophobicContact CB-CG1 4.39Å; A60-V71 HydrophobicContact CB-CG2 3.61Å; D69-V71 HydrophobicContact CB-CG1 4.47Å; D69-V71 HydrophobicContact CB-CG2 4.23Å; D69-V71 PolarHBondContact O-N 2.88Å; V71-H73 PolarHBondContact O-CE1 2.86Å; V71-H73 VanDerWaalsContact O-CE1 3.3Å; V71-H73 PolarHBondContact O-ND1 2.95Å; V71-L356 VanDerWaalsContact C-CD1 3.48Å
72	Y	98.3	Very high	87.9	Confident	27 Å²	27	54 Å²	54	11%	0.106	27%	0.27	C	S	.	.			trans	-80.5	126.4	172.5	-72.5	-64.8	0	0	0	110.5	P137 E141 E185 F350 P351 A353 L356	Y72-P137 HydrophobicContact CD1-CB 4.14Å; Y72-P137 HydrophobicContact CD1-CG 4.23Å; Y72-P137 HydrophobicContact CE1-CB 3.88Å; Y72-P137 HydrophobicContact CE1-CG 3.62Å; Y72-E141 HydrophobicContact CD1-CG 3.75Å; Y72-E141 HydrophobicContact CE1-CG 4.05Å; Y72-E185 HydrophobicContact CD2-CG 4.31Å; Y72-E185 HydrophobicContact CE2-CG 4Å; Y72-F350 AromaticContact CD1-CE2 3.95Å; Y72-F350 HydrophobicContact CD1-CE2 3.95Å; Y72-F350 HydrophobicContact CD1-CZ 4.43Å; Y72-F350 HydrophobicContact CD2-CD2 4.5Å; Y72-F350 AromaticContact CD2-CE2 3.59Å; Y72-F350 HydrophobicContact CD2-CE2 3.59Å; Y72-F350 HydrophobicContact CD2-CZ 4.38Å; Y72-F350 HydrophobicContact CE1-CD2 4.15Å; Y72-F350 AromaticContact CE1-CE2 3.76Å; Y72-F350 HydrophobicContact CE1-CE2 3.76Å; Y72-F350 AromaticContact CE2-CD2 3.87Å; Y72-F350 HydrophobicContact CE2-CD2 3.87Å; Y72-F350 AromaticContact CE2-CE2 3.39Å; Y72-F350 HydrophobicContact CE2-CE2 3.39Å; Y72-F350 AromaticContact CG-CE2 3.86Å; Y72-F350 HydrophobicContact CG-CE2 3.86Å; Y72-F350 HydrophobicContact CG-CZ 4.33Å; Y72-F350 AromaticContact CZ-CD2 3.65Å; Y72-F350 AromaticContact CZ-CE2 3.46Å; Y72-F350 VanDerWaalsContact CZ-CE2 3.46Å; Y72-P351 WeakPolarHBondContact CE2-O 3.49Å; Y72-P351 VanDerWaalsContact CZ-O 3.29Å; Y72-P351 WeakPolarHBondContact OH-CD 3.39Å; Y72-P351 WeakPolarHBondContact OH-CG 3.4Å; Y72-P351 PolarHBondContact OH-O 3.43Å; Y72-A353 HydrophobicContact CD2-CB 3.79Å; Y72-A353 HydrophobicContact CE2-CB 3.88Å; Y72-L356 HydrophobicContact CD1-CD1 4.12Å; Y72-L356 HydrophobicContact CD2-CD1 4.34Å; Y72-L356 HydrophobicContact CE1-CD1 4.03Å; Y72-L356 HydrophobicContact CE1-CD2 3.79Å; Y72-L356 HydrophobicContact CE1-CG 4.34Å; Y72-L356 HydrophobicContact CE2-CD1 4.24Å; Y72-L356 HydrophobicContact CG-CD1 4.29Å
73	H	97.8	Very high	89.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.278	C	S	.	.			trans	-100.5	124.3	-178.8	-61.1	88.1	0	0	0	110.6	A60 L68 D69 V71 E77 L78 R140 E141 L144 Y180	A60-H73 PolarHBondContact O-NE2 3.24Å; A60-H73 VanDerWaalsContact O-NE2 3.11Å; L68-H73 WeakPolarHBondContact CD1-NE2 3.3Å; D69-H73 PolarHBondContact O-CE1 3.4Å; D69-H73 VanDerWaalsContact O-CE1 3.27Å; V71-H73 PolarHBondContact O-CE1 2.86Å; V71-H73 VanDerWaalsContact O-CE1 3.3Å; V71-H73 PolarHBondContact O-ND1 2.95Å; H73-E77 WeakPolarHBondContact CA-OE2 3.36Å; H73-E77 HydrophobicContact CB-CB 4.05Å; H73-L78 HydrophobicContact CB-CB 4.49Å; H73-R140 VanDerWaalsContact O-CZ 3.25Å; H73-R140 PolarHBondContact O-NE 3.2Å; H73-R140 PolarHBondContact O-NH2 3.39Å; H73-E141 IonicContact CE1-OE2 2.69Å; H73-E141 IonicContact CG-OE2 3.83Å; H73-E141 PolarHBondContact N-OE1 2.82Å; H73-E141 IonicContact ND1-OE2 2.65Å; H73-E141 PolarHBondContact ND1-OE2 3.39Å; H73-L144 HydrophobicContact CB-CD1 4.21Å; H73-Y180 PolarHBondContact O-OH 2.89Å
74	D	97.8	Very high	91.5	Very high	71 Å²	71	54.6 Å²	54.6	38%	0.38	26%	0.263	S	S	.	.			trans	-66.2	178.4	172.1	80.7	20.2	0	0	0	112.4	E76 E77 L78 R140	D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.21Å; D74-E76 WeakPolarHBondContact OD1-CA 3.31Å; D74-E76 WeakPolarHBondContact OD1-CB 3.4Å; D74-E76 PolarHBondContact OD1-N 2.67Å; D74-E77 PolarHBondContact N-OE2 2.98Å; D74-E77 WeakPolarHBondContact OD1-CG 3.44Å; D74-E77 PolarHBondContact OD1-N 3.2Å; D74-L78 WeakPolarHBondContact O-CB 3.49Å; D74-L78 PolarHBondContact O-N 2.85Å; D74-R140 PolarHBondContact O-NH2 3.05Å
75	H	98.1	Very high	93.3	Very high	26 Å²	26	49 Å²	49	12%	0.12	23%	0.233	C	C	.	.	H	α-helix	trans	-64.7	-33.2	-177.3	-166.2	70.7	0	0	0	113.2	T79 D106	H75-T79 VanDerWaalsContact O-CB 3.26Å; H75-T79 WeakPolarHBondContact O-CB 3.27Å; H75-T79 PolarHBondContact O-N 2.89Å; H75-T79 PolarHBondContact O-OG1 3.34Å; H75-D106 PolarHBondContact CE1-O 3.2Å
76	E	97.3	Very high	95	Very high	136 Å²	136	48.5 Å²	48.5	64%	0.636	23%	0.228	S	C	*	.	H	α-helix	trans	-74.7	-43.3	179.5	-62.8	-168.3	174.4	0	0	111.1	D74 T79 R80	D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.21Å; D74-E76 WeakPolarHBondContact OD1-CA 3.31Å; D74-E76 WeakPolarHBondContact OD1-CB 3.4Å; D74-E76 PolarHBondContact OD1-N 2.67Å; E76-T79 PolarHBondContact O-N 2.91Å; E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.26Å; E76-R80 PolarHBondContact O-N 3.14Å
77	E	96.9	Very high	96.3	Very high	45 Å²	45	44.6 Å²	44.6	21%	0.21	22%	0.224	C	C	.	.	H	α-helix	trans	-62.8	-46.9	175.6	-68.4	172.1	149.7	0	0	111.6	A60 H73 D74 T79 R80 F81	A60-E77 WeakPolarHBondContact CB-OE1 3.49Å; H73-E77 WeakPolarHBondContact CA-OE2 3.36Å; H73-E77 HydrophobicContact CB-CB 4.05Å; D74-E77 PolarHBondContact N-OE2 2.98Å; D74-E77 WeakPolarHBondContact OD1-CG 3.44Å; D74-E77 PolarHBondContact OD1-N 3.2Å; E77-T79 VanDerWaalsContact C-N 3.34Å; E77-T79 PolarHBondContact O-N 3.05Å; E77-R80 WeakPolarHBondContact O-CB 3.49Å; E77-R80 PolarHBondContact O-N 3.16Å; E77-F81 PolarHBondContact O-N 2.67Å
78	L	97.9	Very high	97	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.6	-48.7	172.3	179.1	157.7	0	0	0	110.8	H73 D74 R80 F81 L82 R140 L144 P173 T174	H73-L78 HydrophobicContact CB-CB 4.49Å; D74-L78 WeakPolarHBondContact O-CB 3.49Å; D74-L78 PolarHBondContact O-N 2.85Å; L78-R80 VanDerWaalsContact C-N 3.3Å; L78-R80 PolarHBondContact O-N 3.03Å; L78-F81 PolarHBondContact O-N 2.84Å; L78-L82 HydrophobicContact CD2-CD1 3.52Å; L78-L82 HydrophobicContact CD2-CG 4.12Å; L78-L82 HydrophobicContact CG-CD1 4.42Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.9Å; L78-R140 HydrophobicContact CD1-CG 4.17Å; L78-R140 VanDerWaalsContact CD1-CZ 3.5Å; L78-L144 HydrophobicContact CB-CD1 4.45Å; L78-L144 HydrophobicContact CD1-CD1 4.15Å; L78-L144 HydrophobicContact CD1-CD2 4.14Å; L78-L144 HydrophobicContact CG-CD1 4.14Å; L78-L144 HydrophobicContact CG-CD2 3.95Å; L78-P173 HydrophobicContact CD1-CB 4.12Å; L78-T174 HydrophobicContact CD1-CG2 4.01Å
79	T	98.2	Very high	97.2	Very high	16 Å²	16	46.5 Å²	46.5	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-41.3	179.1	-63.7	0	0	0	0	111.3	H75 E76 E77 L82 R83 W108	H75-T79 VanDerWaalsContact O-CB 3.26Å; H75-T79 WeakPolarHBondContact O-CB 3.27Å; H75-T79 PolarHBondContact O-N 2.89Å; H75-T79 PolarHBondContact O-OG1 3.34Å; E76-T79 PolarHBondContact O-N 2.91Å; E77-T79 VanDerWaalsContact C-N 3.34Å; E77-T79 PolarHBondContact O-N 3.05Å; T79-L82 PolarHBondContact O-N 3.1Å; T79-R83 HydrophobicContact CG2-CG 4.46Å; T79-R83 WeakPolarHBondContact O-CB 3.47Å; T79-R83 WeakPolarHBondContact O-CG 3.39Å; T79-R83 PolarHBondContact O-N 2.87Å; T79-W108 HydrophobicContact CG2-CZ2 4.07Å; T79-W108 PolarHBondContact OG1-NE1 3.13Å
80	R	97.2	Very high	97.3	Very high	97 Å²	97	45.9 Å²	45.9	37%	0.366	23%	0.227	S	C	.	.	H	α-helix	trans	-63.6	-45.8	178.1	-168.9	-177.8	-56.6	111.1	6.2	110.9	Y61 P63 E76 E77 L78 R83 A84	Y61-R80 HydrophobicContact CD1-CG 4.4Å; P63-R80 HydrophobicContact CG-CG 4.03Å; E76-R80 VanDerWaalsContact O-CB 3.3Å; E76-R80 WeakPolarHBondContact O-CB 3.26Å; E76-R80 PolarHBondContact O-N 3.14Å; E77-R80 WeakPolarHBondContact O-CB 3.49Å; E77-R80 PolarHBondContact O-N 3.16Å; L78-R80 VanDerWaalsContact C-N 3.3Å; L78-R80 PolarHBondContact O-N 3.03Å; R80-R83 PolarHBondContact O-N 2.82Å; R80-A84 WeakPolarHBondContact O-CB 3.27Å; R80-A84 PolarHBondContact O-N 2.71Å
81	F	97.4	Very high	97.3	Very high	3 Å²	3	50 Å²	50	1%	0.013	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-49.4	175.3	168.2	-102.8	0	0	0	112.4	Y61 L68 E77 L78 R83 A84 T85 L144 I147 Q148	Y61-F81 HydrophobicContact CD1-CB 3.95Å; Y61-F81 HydrophobicContact CD2-CD2 4.05Å; Y61-F81 HydrophobicContact CE1-CB 3.93Å; Y61-F81 HydrophobicContact CE1-CD2 4.29Å; Y61-F81 AromaticContact CE2-CD2 3.6Å; Y61-F81 HydrophobicContact CE2-CD2 3.6Å; Y61-F81 HydrophobicContact CE2-CE2 4.36Å; Y61-F81 HydrophobicContact CG-CB 4.28Å; Y61-F81 AromaticContact CZ-CD2 3.72Å; L68-F81 HydrophobicContact CB-CD2 4.48Å; L68-F81 HydrophobicContact CB-CE2 4.11Å; L68-F81 HydrophobicContact CD1-CB 4.35Å; L68-F81 HydrophobicContact CD1-CD2 3.61Å; L68-F81 HydrophobicContact CD1-CE2 4.05Å; L68-F81 HydrophobicContact CD1-CG 3.96Å; L68-F81 HydrophobicContact CD2-CD2 4.34Å; L68-F81 HydrophobicContact CD2-CE1 4.29Å; L68-F81 HydrophobicContact CD2-CE2 4.11Å; L68-F81 HydrophobicContact CD2-CZ 4.08Å; L68-F81 HydrophobicContact CG-CD2 4.37Å; L68-F81 HydrophobicContact CG-CE2 4.33Å; E77-F81 PolarHBondContact O-N 2.67Å; L78-F81 PolarHBondContact O-N 2.84Å; F81-R83 PolarHBondContact O-N 2.74Å; F81-A84 PolarHBondContact O-N 2.86Å; F81-T85 WeakPolarHBondContact CE2-OG1 3.25Å; F81-T85 VanDerWaalsContact O-CB 3.29Å; F81-T85 WeakPolarHBondContact O-CB 3.27Å; F81-T85 PolarHBondContact O-N 2.93Å; F81-T85 PolarHBondContact O-OG1 2.69Å; F81-L144 HydrophobicContact CD1-CB 4.4Å; F81-L144 HydrophobicContact CD1-CD2 3.95Å; F81-L144 HydrophobicContact CE1-CB 4.05Å; F81-L144 HydrophobicContact CE1-CD2 4.07Å; F81-I147 HydrophobicContact CE1-CB 4.44Å; F81-I147 HydrophobicContact CE1-CG2 4.28Å; F81-I147 HydrophobicContact CZ-CG2 4.35Å; F81-Q148 HydrophobicContact CE2-CB 4.42Å; F81-Q148 HydrophobicContact CZ-CB 4.05Å
82	L	98.1	Very high	97.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-45.3	-179.4	-65.9	-177	0	0	0	111.5	L78 T79 T85 S86 L95 W108 M110 L144 I147 P173	L78-L82 HydrophobicContact CD2-CD1 3.52Å; L78-L82 HydrophobicContact CD2-CG 4.12Å; L78-L82 HydrophobicContact CG-CD1 4.42Å; L78-L82 WeakPolarHBondContact O-CG 3.44Å; L78-L82 PolarHBondContact O-N 2.9Å; T79-L82 PolarHBondContact O-N 3.1Å; L82-T85 PolarHBondContact O-N 3.37Å; L82-S86 WeakPolarHBondContact O-CB 3.41Å; L82-S86 PolarHBondContact O-N 3.41Å; L82-L95 HydrophobicContact CB-CD1 3.9Å; L82-L95 HydrophobicContact CB-CD2 3.94Å; L82-L95 HydrophobicContact CD1-CD1 4.04Å; L82-W108 HydrophobicContact CD1-CB 3.49Å; L82-W108 VanDerWaalsContact CD1-CB 3.49Å; L82-W108 HydrophobicContact CD1-CG 4.03Å; L82-M110 HydrophobicContact CB-CE 3.91Å; L82-M110 HydrophobicContact CD2-CB 4.27Å; L82-M110 HydrophobicContact CD2-CE 3.85Å; L82-M110 HydrophobicContact CG-CE 4.46Å; L82-M110 WeakPolarHBondContact O-CE 3.25Å; L82-L144 HydrophobicContact CD2-CD2 4.02Å; L82-I147 HydrophobicContact CD2-CD1 3.66Å; L82-P173 HydrophobicContact CD1-CG 4.46Å
83	R	97.5	Very high	97.4	Very high	143 Å²	143	48.1 Å²	48.1	54%	0.54	24%	0.242	S	C	.	.	H	α-helix	trans	-63.6	-45.3	177.9	-74.1	178.5	176.6	175.2	-0.1	112.1	T79 R80 F81 S86 A87 L95	T79-R83 HydrophobicContact CG2-CG 4.46Å; T79-R83 WeakPolarHBondContact O-CB 3.47Å; T79-R83 WeakPolarHBondContact O-CG 3.39Å; T79-R83 PolarHBondContact O-N 2.87Å; R80-R83 PolarHBondContact O-N 2.82Å; F81-R83 PolarHBondContact O-N 2.74Å; R83-S86 PolarHBondContact O-N 2.87Å; R83-A87 WeakPolarHBondContact O-CB 3.46Å; R83-A87 PolarHBondContact O-N 2.97Å; R83-L95 HydrophobicContact CB-CD2 4.39Å; R83-L95 HydrophobicContact CG-CD2 3.65Å
84	A	96.6	Very high	97.5	Very high	19 Å²	19	48.7 Å²	48.7	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-42.2	178.4	0	0	0	0	0	111.6	Y61 P63 R80 F81 A87 R88	Y61-A84 HydrophobicContact CE1-CB 4.05Å; Y61-A84 WeakPolarHBondContact OH-CB 3.27Å; P63-A84 HydrophobicContact CB-CB 4.38Å; R80-A84 WeakPolarHBondContact O-CB 3.27Å; R80-A84 PolarHBondContact O-N 2.71Å; F81-A84 PolarHBondContact O-N 2.86Å; A84-A87 PolarHBondContact O-N 3.33Å; A84-R88 VanDerWaalsContact O-CB 3.32Å; A84-R88 WeakPolarHBondContact O-CB 3.28Å; A84-R88 PolarHBondContact O-N 2.76Å
85	T	96.6	Very high	97.5	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.043	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-45.3	175.4	-58.6	0	0	0	0	111.2	F81 L82 A87 R88 Y89 I147 V151	F81-T85 WeakPolarHBondContact CE2-OG1 3.25Å; F81-T85 VanDerWaalsContact O-CB 3.29Å; F81-T85 WeakPolarHBondContact O-CB 3.27Å; F81-T85 PolarHBondContact O-N 2.93Å; F81-T85 PolarHBondContact O-OG1 2.69Å; L82-T85 PolarHBondContact O-N 3.37Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.86Å; T85-R88 PolarHBondContact O-N 3.19Å; T85-Y89 HydrophobicContact CG2-CD2 4.06Å; T85-Y89 PolarHBondContact O-N 3.5Å; T85-I147 HydrophobicContact CG2-CG2 4.01Å; T85-V151 HydrophobicContact CG2-CG1 4.3Å; T85-V151 HydrophobicContact CG2-CG2 4.13Å
86	S	97.3	Very high	97.5	Very high	23 Å²	23	49.1 Å²	49.1	16%	0.161	25%	0.245	C	C	.	.	H	α-helix	trans	-62.5	-40.5	178.1	-173.9	0	0	0	0	112.7	L82 R83 P90 T93	L82-S86 WeakPolarHBondContact O-CB 3.41Å; L82-S86 PolarHBondContact O-N 3.41Å; R83-S86 PolarHBondContact O-N 2.87Å; S86-P90 WeakPolarHBondContact O-CA 3.11Å; S86-T93 WeakPolarHBondContact CA-OG1 3.5Å
87	A	96.6	Very high	97.6	Very high	81 Å²	81	44.6 Å²	44.6	67%	0.669	23%	0.228	S	C	*	.	H	α-helix	trans	-68.2	-34.5	176.3	0	0	0	0	0	112.8	R83 A84 T85	R83-A87 WeakPolarHBondContact O-CB 3.46Å; R83-A87 PolarHBondContact O-N 2.97Å; A84-A87 PolarHBondContact O-N 3.33Å; T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.86Å
88	R	95.8	Very high	97.7	Very high	83 Å²	83	43.3 Å²	43.3	31%	0.313	22%	0.222	S	C	.	.	H	α-helix	trans	-79.8	-34.1	-178.3	-168.1	-177.2	-61.9	171.2	-1.3	113	P63 A65 A84 T85 P90	P63-R88 PolarHBondContact O-NH2 2.96Å; A65-R88 PolarHBondContact O-NH1 2.85Å; A65-R88 PolarHBondContact O-NH2 3.12Å; A84-R88 VanDerWaalsContact O-CB 3.32Å; A84-R88 WeakPolarHBondContact O-CB 3.28Å; A84-R88 PolarHBondContact O-N 2.76Å; T85-R88 PolarHBondContact O-N 3.19Å; R88-P90 WeakPolarHBondContact O-CD 3.06Å
89	Y	96.9	Very high	97.7	Very high	58 Å²	58	44.4 Å²	44.4	23%	0.227	23%	0.234	C	C	.	.			trans	-121.2	55.6	-177.5	-57.7	-81.7	0	0	0	112.3	T85 N91 L92 T93 V151	T85-Y89 HydrophobicContact CG2-CD2 4.06Å; T85-Y89 PolarHBondContact O-N 3.5Å; Y89-N91 PolarHBondContact O-N 2.63Å; Y89-N91 VanDerWaalsContact O-N 3.12Å; Y89-L92 PolarHBondContact O-N 3.2Å; Y89-T93 PolarHBondContact O-N 3.44Å; Y89-T93 PolarHBondContact O-OG1 3.17Å; Y89-V151 HydrophobicContact CD1-CB 4.05Å; Y89-V151 HydrophobicContact CD2-CB 3.77Å; Y89-V151 HydrophobicContact CD2-CG1 4.28Å; Y89-V151 HydrophobicContact CD2-CG2 3.64Å; Y89-V151 HydrophobicContact CE1-CB 4.33Å; Y89-V151 HydrophobicContact CE2-CB 4.05Å; Y89-V151 HydrophobicContact CE2-CG2 3.55Å; Y89-V151 HydrophobicContact CG-CB 3.77Å; Y89-V151 HydrophobicContact CG-CG1 4.23Å; Y89-V151 HydrophobicContact CG-CG2 4.17Å
90	P	97.5	Very high	97.7	Very high	54 Å²	54	48.4 Å²	48.4	35%	0.351	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-22.4	-171.7	28.5	-36.8	0	0	0	113.3	S86 R88 L92 Y117	S86-P90 WeakPolarHBondContact O-CA 3.11Å; R88-P90 WeakPolarHBondContact O-CD 3.06Å; P90-L92 VanDerWaalsContact C-N 3.34Å; P90-Y117 WeakPolarHBondContact O-CE2 3.33Å; P90-Y117 PolarHBondContact O-OH 3.08Å
91	N	97.3	Very high	97.8	Very high	131 Å²	131	44 Å²	44	70%	0.701	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.2	177.2	-65.4	-15.1	0	0	0	113.3	Y89	Y89-N91 PolarHBondContact O-N 2.63Å; Y89-N91 VanDerWaalsContact O-N 3.12Å
92	L	98.3	Very high	97.9	Very high	18 Å²	18	46.3 Å²	46.3	9%	0.094	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-11.3	-177.9	-66.5	179.6	0	0	0	113.2	Y89 P90 V112 S113 Y154	Y89-L92 PolarHBondContact O-N 3.2Å; P90-L92 VanDerWaalsContact C-N 3.34Å; L92-V112 CarbonylContact O-C 3.59Å; L92-V112 WeakPolarHBondContact O-CA 3.5Å; L92-S113 CarbonylContact C-O 3.43Å; L92-S113 VanDerWaalsContact C-O 3.27Å; L92-S113 WeakPolarHBondContact CA-O 3.28Å; L92-S113 PolarHBondContact O-N 2.75Å; L92-Y154 HydrophobicContact CD1-CD1 3.78Å; L92-Y154 HydrophobicContact CD1-CD2 4.45Å; L92-Y154 HydrophobicContact CD1-CG 3.7Å; L92-Y154 HydrophobicContact CD2-CD1 3.89Å; L92-Y154 HydrophobicContact CD2-CD2 4.03Å; L92-Y154 HydrophobicContact CD2-CE1 3.9Å; L92-Y154 HydrophobicContact CD2-CE2 4.02Å; L92-Y154 HydrophobicContact CD2-CG 3.94Å; L92-Y154 HydrophobicContact CG-CD1 4.41Å; L92-Y154 HydrophobicContact CG-CG 4.49Å
93	T	98.7	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.3	-169.5	60.1	0	0	0	0	113.4	S86 Y89 M110 V111 V112 P116 Y117 V151	S86-T93 WeakPolarHBondContact CA-OG1 3.5Å; Y89-T93 PolarHBondContact O-N 3.44Å; Y89-T93 PolarHBondContact O-OG1 3.17Å; T93-M110 HydrophobicContact CG2-SD 4.09Å; T93-V111 WeakPolarHBondContact CA-O 3.17Å; T93-V112 HydrophobicContact CG2-CG2 4.45Å; T93-P116 VanDerWaalsContact C-CB 3.49Å; T93-Y117 PolarHBondContact O-OH 2.87Å; T93-V151 HydrophobicContact CG2-CG1 3.47Å; T93-V151 VanDerWaalsContact CG2-CG1 3.47Å
94	A	98.6	Very high	97.9	Very high	11 Å²	11	46.7 Å²	46.7	9%	0.091	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	127.9	168.9	0	0	0	0	0	109	V111 P116 Y117	A94-V111 HydrophobicContact CB-CB 4.18Å; A94-V111 HydrophobicContact CB-CG2 4.3Å; A94-V111 PolarHBondContact N-O 3.25Å; A94-V111 VanDerWaalsContact N-O 3.17Å; A94-V111 PolarHBondContact O-N 2.68Å; A94-P116 HydrophobicContact CB-CB 3.92Å; A94-Y117 HydrophobicContact CB-CD1 3.9Å; A94-Y117 HydrophobicContact CB-CE1 3.93Å
95	L	98.8	Very high	98	Very high	40 Å²	40	48.7 Å²	48.7	21%	0.209	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.7	180	-179.9	63.8	0	0	0	110.3	L82 R83 W108 V109 M110	L82-L95 HydrophobicContact CB-CD1 3.9Å; L82-L95 HydrophobicContact CB-CD2 3.94Å; L82-L95 HydrophobicContact CD1-CD1 4.04Å; R83-L95 HydrophobicContact CB-CD2 4.39Å; R83-L95 HydrophobicContact CG-CD2 3.65Å; L95-W108 HydrophobicContact CD1-CB 4.17Å; L95-W108 HydrophobicContact CD1-CD2 4.19Å; L95-W108 HydrophobicContact CD1-CE3 3.67Å; L95-W108 HydrophobicContact CD1-CG 4.42Å; L95-W108 HydrophobicContact CD1-CZ3 4.45Å; L95-W108 HydrophobicContact CD2-CE3 4.09Å; L95-W108 HydrophobicContact CD2-CZ3 4.23Å; L95-W108 HydrophobicContact CG-CE3 3.71Å; L95-W108 HydrophobicContact CG-CZ3 4Å; L95-V109 WeakPolarHBondContact CD1-O 3.47Å; L95-M110 HydrophobicContact CB-CE 4.29Å; L95-M110 HydrophobicContact CB-SD 4.37Å; L95-M110 HydrophobicContact CD1-CE 4.17Å
96	Y	98.7	Very high	98.2	Very high	67 Å²	67	50 Å²	50	26%	0.263	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.9	172.6	66.8	-84.3	0	0	0	111	I98 V109 V111 H170 W227	Y96-I98 HydrophobicContact CD2-CG2 4.12Å; Y96-I98 HydrophobicContact CE2-CG2 3.52Å; Y96-V109 HydrophobicContact CD1-CB 4.37Å; Y96-V109 HydrophobicContact CD2-CB 4.38Å; Y96-V109 HydrophobicContact CE1-CB 3.85Å; Y96-V109 HydrophobicContact CE1-CG1 3.74Å; Y96-V109 HydrophobicContact CE2-CB 3.88Å; Y96-V109 HydrophobicContact CE2-CG1 4.33Å; Y96-V109 HydrophobicContact CE2-CG2 4.19Å; Y96-V109 PolarHBondContact N-O 3.49Å; Y96-V109 PolarHBondContact O-N 3.19Å; Y96-V109 VanDerWaalsContact OH-CG1 3.31Å; Y96-V109 WeakPolarHBondContact OH-CG1 3.39Å; Y96-V111 HydrophobicContact CD1-CG2 4.14Å; Y96-V111 HydrophobicContact CE1-CG2 3.56Å; Y96-H170 AromaticContact CE1-ND1 3.91Å; Y96-H170 AromaticContact CZ-ND1 3.82Å; Y96-H170 PolarHBondContact OH-ND1 2.92Å; Y96-W227 PolarHBondContact OH-NE1 3.18Å
97	S	98.7	Very high	98.2	Very high	40 Å²	40	48.9 Å²	48.9	28%	0.28	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.5	176.1	-179.4	0	0	0	0	109.2	G99 D106 L107	S97-G99 VanDerWaalsContact C-N 3.27Å; S97-G99 PolarHBondContact OG-N 2.79Å; S97-G99 PolarHBondContact OG-O 3.18Å; S97-D106 PolarHBondContact OG-OD1 2.8Å; S97-L107 WeakPolarHBondContact CA-O 3.42Å
98	I	98.8	Very high	98.3	Very high	18 Å²	18	46.2 Å²	46.2	9%	0.092	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-0	174.5	60.6	168.8	0	0	0	112.8	Y96 L107 V109 L172 S223 V224 W227	Y96-I98 HydrophobicContact CD2-CG2 4.12Å; Y96-I98 HydrophobicContact CE2-CG2 3.52Å; I98-L107 HydrophobicContact CD1-CB 4.24Å; I98-L107 HydrophobicContact CG1-CB 3.57Å; I98-L107 HydrophobicContact CG1-CD1 4.35Å; I98-L107 WeakPolarHBondContact CG1-O 3.13Å; I98-L107 PolarHBondContact N-O 3.2Å; I98-V109 HydrophobicContact CD1-CG2 4.49Å; I98-V109 HydrophobicContact CG1-CG2 4.38Å; I98-V109 HydrophobicContact CG2-CG2 3.65Å; I98-L172 HydrophobicContact CD1-CD2 3.84Å; I98-S223 VanDerWaalsContact O-CB 3.23Å; I98-S223 WeakPolarHBondContact O-CB 3.33Å; I98-S223 PolarHBondContact O-OG 3.43Å; I98-V224 HydrophobicContact CD1-CG2 3.77Å; I98-W227 HydrophobicContact CB-CB 4.28Å; I98-W227 HydrophobicContact CB-CG 4.47Å; I98-W227 HydrophobicContact CD1-CB 4.36Å; I98-W227 HydrophobicContact CD1-CD2 4.32Å; I98-W227 HydrophobicContact CD1-CE3 3.92Å; I98-W227 HydrophobicContact CG2-CB 3.92Å; I98-W227 HydrophobicContact CG2-CD2 3.97Å; I98-W227 HydrophobicContact CG2-CG 3.63Å
99	G	98.6	Very high	98.5	Very high	23 Å²	23	42.2 Å²	42.2	24%	0.237	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-160.2	179.8	0	0	0	0	0	111	S97 L107 S223	S97-G99 VanDerWaalsContact C-N 3.27Å; S97-G99 PolarHBondContact OG-N 2.79Å; S97-G99 PolarHBondContact OG-O 3.18Å; G99-L107 PolarHBondContact O-N 2.82Å; G99-S223 WeakPolarHBondContact CA-OG 3.32Å
100	K	98.8	Very high	98.6	Very high	100 Å²	100	39.5 Å²	39.5	44%	0.435	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.5	-175	-65.5	-177.3	178.3	-61.2	0	110.8	R105 D106	K100-R105 CarbonylContact C-O 3.57Å; K100-R105 VanDerWaalsContact CA-O 3.24Å; K100-R105 WeakPolarHBondContact CA-O 3.32Å; K100-D106 IonicContact NZ-OD1 2.93Å; K100-D106 PolarHBondContact NZ-OD1 3.08Å; K100-D106 IonicContact NZ-OD2 2.66Å; K100-D106 PolarHBondContact NZ-OD2 2.9Å
101	S	98.8	Very high	98.7	Very high	6 Å²	6	37 Å²	37	4%	0.042	20%	0.197	C	C	.	.			trans	-64.3	173.2	167.7	72.2	0	0	0	0	111.7	Q103 G104 R105 D178 E220	S101-Q103 PolarHBondContact O-N 3.47Å; S101-Q103 PolarHBondContact OG-N 2.99Å; S101-G104 PolarHBondContact O-N 3.07Å; S101-G104 PolarHBondContact OG-N 3.18Å; S101-R105 PolarHBondContact N-O 3Å; S101-R105 WeakPolarHBondContact OG-CB 3.4Å; S101-R105 PolarHBondContact OG-N 3.12Å; S101-D178 VanDerWaalsContact CB-CG 3.45Å; S101-D178 VanDerWaalsContact CB-OD1 3.26Å; S101-D178 WeakPolarHBondContact CB-OD1 3.45Å; S101-D178 VanDerWaalsContact CB-OD2 3.29Å; S101-D178 WeakPolarHBondContact CB-OD2 3.39Å; S101-D178 PolarHBondContact OG-OD1 3.36Å; S101-D178 PolarHBondContact OG-OD2 3.36Å; S101-D178 VanDerWaalsContact OG-OD2 3.09Å; S101-E220 WeakPolarHBondContact CA-OE1 3.31Å; S101-E220 WeakPolarHBondContact CB-OE1 3.45Å
102	I	98.6	Very high	98.7	Very high	50 Å²	50	30.7 Å²	30.7	26%	0.256	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.3	173.4	-69.9	-72	0	0	0	112.9	G104 D178 A197 R198 P219 E220	I102-G104 VanDerWaalsContact C-N 3.29Å; I102-D178 PolarHBondContact N-OD2 3.19Å; I102-A197 HydrophobicContact CB-CB 3.92Å; I102-A197 HydrophobicContact CG2-CB 3.69Å; I102-R198 VanDerWaalsContact CD1-CD 3.47Å; I102-R198 HydrophobicContact CD1-CG 3.75Å; I102-R198 VanDerWaalsContact CD1-NE 3.31Å; I102-R198 HydrophobicContact CG1-CG 4.09Å; I102-R198 HydrophobicContact CG2-CG 4.2Å; I102-P219 VanDerWaalsContact CD1-CD 3.42Å; I102-P219 HydrophobicContact CD1-CG 3.39Å; I102-P219 HydrophobicContact CG1-CG 3.67Å; I102-E220 PolarHBondContact N-OE1 2.65Å
103	Q	98.5	Very high	98.7	Very high	112 Å²	112	29.9 Å²	29.9	52%	0.523	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	14.9	178.9	-60.4	-177.2	-13.7	0	0	113.2	S101 D178 A197	S101-Q103 PolarHBondContact O-N 3.47Å; S101-Q103 PolarHBondContact OG-N 2.99Å; Q103-D178 WeakPolarHBondContact CB-OD2 3.22Å; Q103-D178 WeakPolarHBondContact CG-OD2 3.08Å; Q103-D178 PolarHBondContact N-OD2 2.92Å; Q103-A197 HydrophobicContact CG-CB 3.96Å
104	G	98.5	Very high	98.7	Very high	40 Å²	40	32 Å²	32	41%	0.412	18%	0.175	S	C	.	.	S	Bend	trans	82.2	10.2	172.2	0	0	0	0	0	115.4	S101 I102	S101-G104 PolarHBondContact O-N 3.07Å; S101-G104 PolarHBondContact OG-N 3.18Å; I102-G104 VanDerWaalsContact C-N 3.29Å
105	R	98.8	Very high	98.6	Very high	60 Å²	60	32.6 Å²	32.6	23%	0.226	18%	0.178	C	C	.	.			trans	-77	131.5	176.9	-63.7	-175.4	179.9	93.1	-1	110.1	K100 S101 P177 D178	K100-R105 CarbonylContact C-O 3.57Å; K100-R105 VanDerWaalsContact CA-O 3.24Å; K100-R105 WeakPolarHBondContact CA-O 3.32Å; S101-R105 PolarHBondContact N-O 3Å; S101-R105 WeakPolarHBondContact OG-CB 3.4Å; S101-R105 PolarHBondContact OG-N 3.12Å; R105-P177 HydrophobicContact CB-CB 4.13Å; R105-P177 HydrophobicContact CB-CG 3.77Å; R105-D178 IonicContact CZ-OD1 3.69Å; R105-D178 IonicContact NH1-OD1 3.23Å; R105-D178 PolarHBondContact NH1-OD1 2.81Å
106	D	98.8	Very high	98.5	Very high	34 Å²	34	31 Å²	31	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	136.5	177.8	-77	-65.7	0	0	0	112.5	H75 S97 K100 W108	H75-D106 PolarHBondContact CE1-O 3.2Å; S97-D106 PolarHBondContact OG-OD1 2.8Å; K100-D106 IonicContact NZ-OD1 2.93Å; K100-D106 PolarHBondContact NZ-OD1 3.08Å; K100-D106 IonicContact NZ-OD2 2.66Å; K100-D106 PolarHBondContact NZ-OD2 2.9Å; D106-W108 HydrophobicContact CB-CD2 3.92Å; D106-W108 VanDerWaalsContact CB-CE2 3.43Å; D106-W108 HydrophobicContact CB-CG 4.24Å; D106-W108 HydrophobicContact CB-CH2 4.37Å; D106-W108 HydrophobicContact CB-CZ2 3.68Å; D106-W108 PolarHBondContact O-N 2.89Å
107	L	98.9	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	83.2	170.1	-59.6	-177.9	0	0	0	108.1	S97 I98 G99 L172 M175 P177 E220	S97-L107 WeakPolarHBondContact CA-O 3.42Å; I98-L107 HydrophobicContact CD1-CB 4.24Å; I98-L107 HydrophobicContact CG1-CB 3.57Å; I98-L107 HydrophobicContact CG1-CD1 4.35Å; I98-L107 WeakPolarHBondContact CG1-O 3.13Å; I98-L107 PolarHBondContact N-O 3.2Å; G99-L107 PolarHBondContact O-N 2.82Å; L107-L172 HydrophobicContact CB-CD1 4.33Å; L107-M175 WeakPolarHBondContact CD2-O 3.29Å; L107-P177 HydrophobicContact CD2-CG 3.87Å; L107-E220 HydrophobicContact CD1-CB 4.26Å; L107-E220 HydrophobicContact CD1-CG 4.36Å
108	W	98.9	Very high	98	Very high	25 Å²	25	39.6 Å²	39.6	10%	0.095	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132	-174.5	-69.5	118.2	0	0	0	112.8	T79 L82 L95 D106 L172 P173	T79-W108 HydrophobicContact CG2-CZ2 4.07Å; T79-W108 PolarHBondContact OG1-NE1 3.13Å; L82-W108 HydrophobicContact CD1-CB 3.49Å; L82-W108 VanDerWaalsContact CD1-CB 3.49Å; L82-W108 HydrophobicContact CD1-CG 4.03Å; L95-W108 HydrophobicContact CD1-CB 4.17Å; L95-W108 HydrophobicContact CD1-CD2 4.19Å; L95-W108 HydrophobicContact CD1-CE3 3.67Å; L95-W108 HydrophobicContact CD1-CG 4.42Å; L95-W108 HydrophobicContact CD1-CZ3 4.45Å; L95-W108 HydrophobicContact CD2-CE3 4.09Å; L95-W108 HydrophobicContact CD2-CZ3 4.23Å; L95-W108 HydrophobicContact CG-CE3 3.71Å; L95-W108 HydrophobicContact CG-CZ3 4Å; D106-W108 HydrophobicContact CB-CD2 3.92Å; D106-W108 VanDerWaalsContact CB-CE2 3.43Å; D106-W108 HydrophobicContact CB-CG 4.24Å; D106-W108 HydrophobicContact CB-CH2 4.37Å; D106-W108 HydrophobicContact CB-CZ2 3.68Å; D106-W108 PolarHBondContact O-N 2.89Å; W108-L172 WeakPolarHBondContact O-CD1 3.27Å; W108-P173 WeakPolarHBondContact O-CD 3.4Å
109	V	98.9	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.7	169.2	-177.4	0	0	0	0	109.6	L95 Y96 I98 H170 I171 L172 W227	L95-V109 WeakPolarHBondContact CD1-O 3.47Å; Y96-V109 HydrophobicContact CD1-CB 4.37Å; Y96-V109 HydrophobicContact CD2-CB 4.38Å; Y96-V109 HydrophobicContact CE1-CB 3.85Å; Y96-V109 HydrophobicContact CE1-CG1 3.74Å; Y96-V109 HydrophobicContact CE2-CB 3.88Å; Y96-V109 HydrophobicContact CE2-CG1 4.33Å; Y96-V109 HydrophobicContact CE2-CG2 4.19Å; Y96-V109 PolarHBondContact N-O 3.49Å; Y96-V109 PolarHBondContact O-N 3.19Å; Y96-V109 VanDerWaalsContact OH-CG1 3.31Å; Y96-V109 WeakPolarHBondContact OH-CG1 3.39Å; I98-V109 HydrophobicContact CD1-CG2 4.49Å; I98-V109 HydrophobicContact CG1-CG2 4.38Å; I98-V109 HydrophobicContact CG2-CG2 3.65Å; V109-H170 HydrophobicContact CG1-CB 3.9Å; V109-I171 CarbonylContact C-O 3.6Å; V109-I171 VanDerWaalsContact CA-O 3.31Å; V109-I171 WeakPolarHBondContact CA-O 3.28Å; V109-L172 HydrophobicContact CG2-CB 4.11Å; V109-L172 HydrophobicContact CG2-CD1 4.08Å; V109-W227 HydrophobicContact CG1-CH2 4.41Å; V109-W227 HydrophobicContact CG1-CZ2 3.99Å; V109-W227 HydrophobicContact CG2-CH2 4.34Å; V109-W227 HydrophobicContact CG2-CZ2 4.27Å
110	M	98.9	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.3	169.7	-175.8	63.9	76.3	0	0	109.3	L82 T93 L95 V112 I147 I171	L82-M110 HydrophobicContact CB-CE 3.91Å; L82-M110 HydrophobicContact CD2-CB 4.27Å; L82-M110 HydrophobicContact CD2-CE 3.85Å; L82-M110 HydrophobicContact CG-CE 4.46Å; L82-M110 WeakPolarHBondContact O-CE 3.25Å; T93-M110 HydrophobicContact CG2-SD 4.09Å; L95-M110 HydrophobicContact CB-CE 4.29Å; L95-M110 HydrophobicContact CB-SD 4.37Å; L95-M110 HydrophobicContact CD1-CE 4.17Å; M110-V112 HydrophobicContact CG-CG2 3.77Å; M110-I147 HydrophobicContact CB-CD1 3.65Å; M110-I147 HydrophobicContact CB-CG1 4.21Å; M110-I147 HydrophobicContact CG-CD1 4.01Å; M110-I147 HydrophobicContact CG-CG1 4.14Å; M110-I147 HydrophobicContact CG-CG2 3.96Å; M110-I171 PolarHBondContact N-O 2.87Å; M110-I171 PolarHBondContact O-N 3.41Å
111	V	98.9	Very high	97.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	133.9	162.3	-170.7	0	0	0	0	108.1	T93 A94 Y96 P116 R168 I169	T93-V111 WeakPolarHBondContact CA-O 3.17Å; A94-V111 HydrophobicContact CB-CB 4.18Å; A94-V111 HydrophobicContact CB-CG2 4.3Å; A94-V111 PolarHBondContact N-O 3.25Å; A94-V111 VanDerWaalsContact N-O 3.17Å; A94-V111 PolarHBondContact O-N 2.68Å; Y96-V111 HydrophobicContact CD1-CG2 4.14Å; Y96-V111 HydrophobicContact CE1-CG2 3.56Å; V111-P116 HydrophobicContact CB-CB 4.47Å; V111-P116 HydrophobicContact CG1-CB 4.23Å; V111-R168 HydrophobicContact CG1-CG 3.78Å; V111-I169 CarbonylContact C-O 3.16Å; V111-I169 VanDerWaalsContact CA-O 3.28Å; V111-I169 WeakPolarHBondContact CA-O 3.33Å
112	V	98.8	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	112.4	170.8	-167.3	0	0	0	0	108.9	L92 T93 M110 I147 F150 V151 L164 I169 I171	L92-V112 CarbonylContact O-C 3.59Å; L92-V112 WeakPolarHBondContact O-CA 3.5Å; T93-V112 HydrophobicContact CG2-CG2 4.45Å; M110-V112 HydrophobicContact CG-CG2 3.77Å; V112-I147 HydrophobicContact CG2-CG1 4.22Å; V112-I147 HydrophobicContact CG2-CG2 4.34Å; V112-F150 HydrophobicContact CB-CD2 4.45Å; V112-F150 HydrophobicContact CG1-CB 3.69Å; V112-F150 HydrophobicContact CG1-CD2 4.24Å; V112-F150 HydrophobicContact CG1-CG 4.37Å; V112-V151 HydrophobicContact CG1-CG1 4.2Å; V112-L164 HydrophobicContact CG1-CD1 3.95Å; V112-L164 HydrophobicContact CG1-CD2 4.05Å; V112-I169 PolarHBondContact N-O 3.45Å; V112-I169 PolarHBondContact O-N 2.93Å; V112-I171 HydrophobicContact CG2-CD1 4.31Å
113	S	98.6	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-172.3	155	-173.3	-164.8	0	0	0	0	111.1	L92 S115 P116 K123 L164 T167	L92-S113 CarbonylContact C-O 3.43Å; L92-S113 VanDerWaalsContact C-O 3.27Å; L92-S113 WeakPolarHBondContact CA-O 3.28Å; L92-S113 PolarHBondContact O-N 2.75Å; S113-S115 PolarHBondContact O-N 2.85Å; S113-S115 VanDerWaalsContact O-N 3.14Å; S113-P116 WeakPolarHBondContact O-CD 3.43Å; S113-K123 WeakPolarHBondContact OG-CE 3.18Å; S113-K123 PolarHBondContact OG-NZ 3Å; S113-L164 PolarHBondContact OG-O 3.28Å; S113-T167 PolarHBondContact OG-O 2.79Å
114	S	97.5	Very high	96.7	Very high	46 Å²	46	37.4 Å²	37.4	32%	0.322	20%	0.201	S	C	.	.	S	Bend	trans	-66.4	-9.5	169.9	68.2	0	0	0	0	114.5	K123 L164 D165	S114-K123 PolarHBondContact OG-NZ 3.2Å; S114-L164 PolarHBondContact N-O 3.09Å; S114-L164 PolarHBondContact OG-O 3.04Å; S114-D165 WeakPolarHBondContact CB-OD1 3.43Å; S114-D165 WeakPolarHBondContact OG-CA 3.47Å; S114-D165 PolarHBondContact OG-OD1 2.88Å
115	S	96.6	Very high	96.7	Very high	22 Å²	22	35.9 Å²	35.9	15%	0.154	18%	0.184	C	C	.	.	S	Bend	trans	-133.9	70.3	176.5	59.6	0	0	0	0	109.7	S113 M120 K123	S113-S115 PolarHBondContact O-N 2.85Å; S113-S115 VanDerWaalsContact O-N 3.14Å; S115-M120 VanDerWaalsContact CB-CG 3.4Å; S115-M120 VanDerWaalsContact OG-CG 3.3Å; S115-M120 WeakPolarHBondContact OG-CG 3.11Å; S115-K123 WeakPolarHBondContact OG-CD 3.39Å; S115-K123 PolarHBondContact OG-NZ 3.08Å
116	P	97	Very high	96.7	Very high	6 Å²	6	33 Å²	33	4%	0.039	17%	0.173	C	C	.	.			trans	-78.2	-33.3	-164.1	29.5	-34.3	0	0	0	113.7	T93 A94 V111 S113 R168	T93-P116 VanDerWaalsContact C-CB 3.49Å; A94-P116 HydrophobicContact CB-CB 3.92Å; V111-P116 HydrophobicContact CB-CB 4.47Å; V111-P116 HydrophobicContact CG1-CB 4.23Å; S113-P116 WeakPolarHBondContact O-CD 3.43Å; P116-R168 PolarHBondContact O-NE 2.92Å; P116-R168 PolarHBondContact O-NH2 2.78Å
117	Y	95.1	Very high	96.7	Very high	141 Å²	141	31.4 Å²	31.4	55%	0.553	16%	0.164	S	C	*	.	S	Bend	trans	-77.9	-30.1	-172.1	-60.1	-75.4	0	0	0	114.2	P90 T93 A94	P90-Y117 WeakPolarHBondContact O-CE2 3.33Å; P90-Y117 PolarHBondContact O-OH 3.08Å; T93-Y117 PolarHBondContact O-OH 2.87Å; A94-Y117 HydrophobicContact CB-CD1 3.9Å; A94-Y117 HydrophobicContact CB-CE1 3.93Å
118	E	91.5	Very high	96.7	Very high	147 Å²	147	31.4 Å²	31.4	69%	0.687	16%	0.164	S	C	*	.	S	Bend	trans	-136.1	151.5	-174.6	-63.5	-173	179.8	0	0	111.6	M120	E118-M120 PolarHBondContact O-N 2.82Å
119	H	92.3	Very high	96.7	Very high	36 Å²	36	30.2 Å²	30.2	17%	0.167	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-68.8	128.4	172.4	178.3	70.2	0	0	0	110.1	K123 D125 Y409 E411	H119-K123 PolarHBondContact CE1-O 3.49Å; H119-D125 IonicContact CE1-OD2 3.74Å; H119-D125 IonicContact ND1-OD2 3.99Å; H119-D125 PolarHBondContact ND1-OD2 2.06Å; H119-Y409 AromaticContact CD2-CD2 3.86Å; H119-Y409 AromaticContact CD2-CE2 3.82Å; H119-E411 IonicContact CD2-OE2 2.63Å; H119-E411 IonicContact NE2-OE1 2.65Å; H119-E411 PolarHBondContact NE2-OE1 2.95Å; H119-E411 IonicContact NE2-OE2 3.2Å; H119-E411 PolarHBondContact NE2-OE2 2.84Å
120	M	94.3	Very high	96.7	Very high	103 Å²	103	30.2 Å²	30.2	51%	0.507	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-98.1	129.9	173.9	-68.3	-59.7	-70.4	0	0	109.4	S115 E118 G122 K123	S115-M120 VanDerWaalsContact CB-CG 3.4Å; S115-M120 VanDerWaalsContact OG-CG 3.3Å; S115-M120 WeakPolarHBondContact OG-CG 3.11Å; E118-M120 PolarHBondContact O-N 2.82Å; M120-G122 PolarHBondContact O-N 3.29Å; M120-K123 HydrophobicContact CB-CB 4.02Å; M120-K123 HydrophobicContact CB-CD 4.06Å; M120-K123 WeakPolarHBondContact O-CB 3.31Å; M120-K123 PolarHBondContact O-N 2.73Å
121	V	93.8	Very high	96.7	Very high	81 Å²	81	30.2 Å²	30.2	49%	0.491	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	131.8	179.2	175.1	0	0	0	0	110.7	K123 F381 Y409 E411	V121-K123 VanDerWaalsContact C-N 3.35Å; V121-F381 HydrophobicContact CG1-CE1 3.4Å; V121-F381 VanDerWaalsContact CG1-CE1 3.4Å; V121-F381 HydrophobicContact CG1-CZ 3.46Å; V121-F381 VanDerWaalsContact CG1-CZ 3.46Å; V121-Y409 HydrophobicContact CG2-CD1 4.15Å; V121-Y409 HydrophobicContact CG2-CD2 4.04Å; V121-Y409 HydrophobicContact CG2-CE2 4.44Å; V121-Y409 HydrophobicContact CG2-CG 3.87Å; V121-E411 WeakPolarHBondContact CA-OE1 3.35Å; V121-E411 HydrophobicContact CG1-CG 4.3Å
122	G	92.1	Very high	96.7	Very high	33 Å²	33	30.2 Å²	30.2	34%	0.34	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-5.3	-175.2	0	0	0	0	0	114.6	M120 E411	M120-G122 PolarHBondContact O-N 3.29Å; G122-E411 PolarHBondContact N-OE1 3.32Å
123	K	95.8	Very high	96.7	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.048	16%	0.16	C	C	.	.			trans	-100.2	111.1	-175.5	-161.9	174.4	-178.2	155.8	0	110.5	S113 S114 S115 H119 M120 V121 L164 D165 N166 T167	S113-K123 WeakPolarHBondContact OG-CE 3.18Å; S113-K123 PolarHBondContact OG-NZ 3Å; S114-K123 PolarHBondContact OG-NZ 3.2Å; S115-K123 WeakPolarHBondContact OG-CD 3.39Å; S115-K123 PolarHBondContact OG-NZ 3.08Å; H119-K123 PolarHBondContact CE1-O 3.49Å; M120-K123 HydrophobicContact CB-CB 4.02Å; M120-K123 HydrophobicContact CB-CD 4.06Å; M120-K123 WeakPolarHBondContact O-CB 3.31Å; M120-K123 PolarHBondContact O-N 2.73Å; V121-K123 VanDerWaalsContact C-N 3.35Å; K123-L164 PolarHBondContact NZ-O 3.44Å; K123-D165 VanDerWaalsContact CE-O 3.29Å; K123-D165 WeakPolarHBondContact CE-O 3.49Å; K123-D165 PolarHBondContact NZ-O 3.07Å; K123-N166 WeakPolarHBondContact CG-O 3.19Å; K123-T167 VanDerWaalsContact CE-N 3.26Å; K123-T167 WeakPolarHBondContact CE-O 3.35Å
124	P	97.3	Very high	96.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.			trans	-65.9	137.8	-179.6	25.8	-34.7	0	0	0	112.1	N166 T167 R168 V234 A374 W413	P124-N166 WeakPolarHBondContact CD-O 3.43Å; P124-T167 HydrophobicContact CG-CG2 4.47Å; P124-R168 PolarHBondContact O-N 3.27Å; P124-V234 HydrophobicContact CB-CB 4.35Å; P124-V234 HydrophobicContact CB-CG2 3.77Å; P124-A374 HydrophobicContact CB-CB 4.47Å; P124-A374 HydrophobicContact CG-CB 4.38Å; P124-W413 HydrophobicContact CB-CG 4.48Å
125	D	98.4	Very high	96.8	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.043	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	132	164.5	-63.7	-76.9	0	0	0	109.6	H119 R168 H170 I231 F233 V234	H119-D125 IonicContact CE1-OD2 3.74Å; H119-D125 IonicContact ND1-OD2 3.99Å; H119-D125 PolarHBondContact ND1-OD2 2.06Å; D125-R168 WeakPolarHBondContact CA-O 3.41Å; D125-R168 WeakPolarHBondContact OD1-CB 3.46Å; D125-R168 VanDerWaalsContact OD1-CD 3.31Å; D125-R168 WeakPolarHBondContact OD1-CD 3.37Å; D125-R168 WeakPolarHBondContact OD1-CG 3.45Å; D125-R168 IonicContact OD1-CZ 3.42Å; D125-R168 IonicContact OD1-NH1 3.77Å; D125-R168 PolarHBondContact OD1-NH1 3.18Å; D125-H170 IonicContact OD1-CD2 2.68Å; D125-H170 IonicContact OD1-NE2 3.59Å; D125-H170 PolarHBondContact OD1-NE2 2.86Å; D125-I231 HydrophobicContact CB-CG2 3.63Å; D125-F233 HydrophobicContact CB-CD1 3.96Å; D125-F233 HydrophobicContact CB-CE1 4.13Å; D125-F233 WeakPolarHBondContact O-CA 3.03Å; D125-V234 PolarHBondContact O-N 3.33Å
126	V	98.9	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.9	176.2	-58.2	0	0	0	0	109.6	T167 R168 I169 H170 L235 L371 A374	V126-T167 HydrophobicContact CB-CG2 4.37Å; V126-T167 HydrophobicContact CG1-CG2 3.9Å; V126-T167 HydrophobicContact CG2-CG2 3.53Å; V126-R168 PolarHBondContact N-O 3.01Å; V126-I169 HydrophobicContact CG2-CB 4.11Å; V126-I169 HydrophobicContact CG2-CG1 3.81Å; V126-I169 HydrophobicContact CG2-CG2 4.13Å; V126-H170 PolarHBondContact O-N 3.04Å; V126-L235 WeakPolarHBondContact CA-O 3.38Å; V126-L235 HydrophobicContact CB-CB 4.48Å; V126-L235 HydrophobicContact CG1-CB 4.01Å; V126-L371 HydrophobicContact CB-CD2 4.19Å; V126-L371 HydrophobicContact CG2-CD2 3.6Å; V126-A374 HydrophobicContact CG1-CB 3.42Å; V126-A374 VanDerWaalsContact CG1-CB 3.42Å
127	K	98.9	Very high	96.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.1	177.8	74.5	-179	-177.3	-57.8	0	116.2	V129 H170 W227 F233 L235 S236 G237 N332 C338 E340	K127-V129 HydrophobicContact CD-CG2 4.35Å; K127-H170 CarbonylContact C-O 3.59Å; K127-H170 WeakPolarHBondContact CA-O 3.24Å; K127-H170 HydrophobicContact CB-CB 4.17Å; K127-H170 WeakPolarHBondContact CB-O 3.46Å; K127-W227 HydrophobicContact CB-CH2 3.82Å; K127-W227 HydrophobicContact CB-CZ2 4.24Å; K127-W227 HydrophobicContact CD-CE3 4.36Å; K127-W227 HydrophobicContact CD-CH2 3.53Å; K127-W227 HydrophobicContact CD-CZ2 4.13Å; K127-W227 HydrophobicContact CD-CZ3 3.66Å; K127-W227 HydrophobicContact CG-CH2 4.24Å; K127-F233 HydrophobicContact CB-CD1 3.91Å; K127-F233 HydrophobicContact CB-CE1 3.82Å; K127-F233 HydrophobicContact CB-CZ 4.33Å; K127-F233 HydrophobicContact CD-CD1 4.18Å; K127-F233 HydrophobicContact CD-CD2 3.84Å; K127-F233 HydrophobicContact CD-CE1 4.26Å; K127-F233 HydrophobicContact CD-CE2 3.9Å; K127-F233 HydrophobicContact CD-CG 3.98Å; K127-F233 HydrophobicContact CD-CZ 4.12Å; K127-F233 HydrophobicContact CG-CD1 4.13Å; K127-F233 HydrophobicContact CG-CE1 4.38Å; K127-F233 HydrophobicContact CG-CG 4.25Å; K127-L235 PolarHBondContact N-O 3.42Å; K127-S236 VanDerWaalsContact CE-OG 3.27Å; K127-S236 WeakPolarHBondContact CE-OG 3.41Å; K127-S236 WeakPolarHBondContact CG-OG 3.05Å; K127-S236 VanDerWaalsContact NZ-CB 3.3Å; K127-S236 PolarHBondContact NZ-OG 3.21Å; K127-S236 VanDerWaalsContact O-CA 3.25Å; K127-S236 WeakPolarHBondContact O-CA 3.46Å; K127-G237 PolarHBondContact O-N 2.86Å; K127-G237 VanDerWaalsContact O-N 3.1Å; K127-N332 PolarHBondContact NZ-OD1 3.4Å; K127-C338 PolarHBondContact NZ-SG 3.28Å; K127-E340 IonicContact NZ-OE2 2.89Å
128	Y	98.9	Very high	97.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.8	160.6	-82.8	-57.1	0	0	0	110.4	L143 L146 H170 L172 G237 L239 L343 L367 F370 L371	Y128-L143 HydrophobicContact CD2-CD2 3.98Å; Y128-L143 HydrophobicContact CG-CD2 3.81Å; Y128-L146 HydrophobicContact CD2-CD2 3.96Å; Y128-L146 HydrophobicContact CE2-CD2 4Å; Y128-H170 PolarHBondContact N-O 3.3Å; Y128-L172 PolarHBondContact O-N 3.1Å; Y128-G237 WeakPolarHBondContact CA-O 3.09Å; Y128-G237 WeakPolarHBondContact CD1-O 3.49Å; Y128-L239 HydrophobicContact CD1-CD1 3.48Å; Y128-L239 VanDerWaalsContact CD1-CD1 3.48Å; Y128-L239 HydrophobicContact CE1-CD1 4.01Å; Y128-L239 HydrophobicContact CG-CD1 4.19Å; Y128-L343 HydrophobicContact CE1-CD1 3.97Å; Y128-L367 HydrophobicContact CE1-CD2 4.08Å; Y128-L367 HydrophobicContact CE2-CB 4.41Å; Y128-L367 HydrophobicContact CE2-CD2 3.95Å; Y128-L367 WeakPolarHBondContact OH-CA 3.42Å; Y128-L367 PolarHBondContact OH-O 2.87Å; Y128-F370 AromaticContact CE1-CD1 3.92Å; Y128-F370 HydrophobicContact CE1-CD1 3.92Å; Y128-F370 HydrophobicContact CE1-CE1 4.08Å; Y128-F370 AromaticContact CZ-CD1 3.71Å; Y128-F370 WeakPolarHBondContact OH-CB 3.5Å; Y128-F370 WeakPolarHBondContact OH-CD1 3.16Å; Y128-L371 HydrophobicContact CD2-CD1 4.26Å; Y128-L371 HydrophobicContact CD2-CD2 3.97Å; Y128-L371 HydrophobicContact CD2-CG 4.34Å; Y128-L371 HydrophobicContact CE2-CD1 3.67Å; Y128-L371 HydrophobicContact CE2-CD2 3.57Å; Y128-L371 HydrophobicContact CE2-CG 3.55Å
129	V	98.9	Very high	97.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.7	173	-179.4	0	0	0	0	108.3	K127 L172 M175 W227 G237 S238 L239 M328	K127-V129 HydrophobicContact CD-CG2 4.35Å; V129-L172 WeakPolarHBondContact CA-O 3.31Å; V129-L172 HydrophobicContact CG1-CD2 3.98Å; V129-L172 HydrophobicContact CG1-CG 4.41Å; V129-L172 HydrophobicContact CG2-CB 4.39Å; V129-L172 HydrophobicContact CG2-CD2 4.34Å; V129-M175 HydrophobicContact CG1-CB 4Å; V129-M175 HydrophobicContact CG1-SD 4.29Å; V129-W227 HydrophobicContact CG2-CZ3 4.05Å; V129-G237 PolarHBondContact N-O 3.48Å; V129-S238 CarbonylContact O-C 3.51Å; V129-S238 WeakPolarHBondContact O-CA 3.13Å; V129-L239 PolarHBondContact O-N 3.34Å; V129-M328 HydrophobicContact CB-CE 3.9Å; V129-M328 HydrophobicContact CG1-CE 3.92Å; V129-M328 HydrophobicContact CG1-SD 4.41Å; V129-M328 HydrophobicContact CG2-CE 4.19Å
130	G	98.8	Very high	97.8	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	157.9	175.2	0	0	0	0	0	112.1	I132 L172 P173 T174 M175	G130-I132 VanDerWaalsContact C-N 3.3Å; G130-I132 PolarHBondContact O-N 2.93Å; G130-L172 PolarHBondContact N-O 3Å; G130-P173 CarbonylContact C-O 3.17Å; G130-P173 WeakPolarHBondContact CA-O 3.31Å; G130-T174 WeakPolarHBondContact O-CA 3.11Å; G130-M175 PolarHBondContact O-N 2.71Å
131	N	98.8	Very high	98	Very high	0 Å²	0	7 Å²	7	0%	0	5%	0.047	C	C	.	.			trans	56.4	43.3	160.4	-173.5	-127	0	0	0	113	H133 G134 E136 R140 T174 N176	N131-H133 PolarHBondContact ND2-O 3.13Å; N131-G134 VanDerWaalsContact ND2-C 3.34Å; N131-G134 WeakPolarHBondContact ND2-CA 3.23Å; N131-G134 PolarHBondContact ND2-O 3.23Å; N131-E136 PolarHBondContact ND2-O 3.37Å; N131-R140 HydrophobicContact CB-CB 3.83Å; N131-T174 PolarHBondContact OD1-OG1 3.01Å; N131-N176 WeakPolarHBondContact O-CB 3.47Å; N131-N176 PolarHBondContact O-N 2.99Å
132	I	98.8	Very high	98.2	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.024	C	C	.	.	S	Bend	trans	-65.4	-31.5	166.3	-174.5	169.4	0	0	0	111.2	G130 M175 N176 L202 N203 F206 H240 M328	G130-I132 VanDerWaalsContact C-N 3.3Å; G130-I132 PolarHBondContact O-N 2.93Å; I132-M175 HydrophobicContact CB-CB 4.29Å; I132-M175 HydrophobicContact CB-SD 4.03Å; I132-M175 HydrophobicContact CD1-CE 4.03Å; I132-M175 HydrophobicContact CD1-SD 3.5Å; I132-M175 WeakPolarHBondContact CD1-SD 3.37Å; I132-M175 HydrophobicContact CG1-CE 4.27Å; I132-M175 HydrophobicContact CG1-CG 4.36Å; I132-M175 HydrophobicContact CG1-SD 3.55Å; I132-M175 VanDerWaalsContact CG1-SD 3.55Å; I132-N176 WeakPolarHBondContact O-CB 3.38Å; I132-N176 PolarHBondContact O-ND2 2.88Å; I132-L202 HydrophobicContact CD1-CB 4Å; I132-L202 HydrophobicContact CG1-CB 3.59Å; I132-L202 HydrophobicContact CG1-CD1 4.35Å; I132-N203 HydrophobicContact CD1-CB 3.93Å; I132-F206 HydrophobicContact CD1-CE2 4.34Å; I132-H240 WeakPolarHBondContact CG2-CE1 3.22Å; I132-H240 VanDerWaalsContact CG2-NE2 3.35Å; I132-H240 WeakPolarHBondContact CG2-NE2 3.44Å; I132-M328 HydrophobicContact CD1-SD 4.34Å
133	H	98.8	Very high	98.6	Very high	4 Å²	4	1.5 Å²	1.5	2%	0.019	1%	0.007	C	C	.	.	S	Bend	trans	-97.1	122.9	159.7	-54.6	136.1	0	0	0	108.8	N131 N135 E136 R194 D201 H240	N131-H133 PolarHBondContact ND2-O 3.13Å; H133-N135 VanDerWaalsContact C-N 3.28Å; H133-N135 PolarHBondContact O-N 2.97Å; H133-E136 HydrophobicContact CB-CB 4.29Å; H133-E136 VanDerWaalsContact CB-CD 3.47Å; H133-E136 HydrophobicContact CB-CG 4.02Å; H133-E136 WeakPolarHBondContact CB-OE1 3.42Å; H133-E136 IonicContact CE1-OE1 3.45Å; H133-E136 IonicContact CE1-OE2 3.82Å; H133-E136 IonicContact CG-OE1 2.99Å; H133-E136 IonicContact CG-OE2 3.88Å; H133-E136 IonicContact ND1-OE1 3.11Å; H133-E136 PolarHBondContact ND1-OE1 3.29Å; H133-E136 IonicContact ND1-OE2 2.87Å; H133-E136 PolarHBondContact ND1-OE2 3.33Å; H133-E136 PolarHBondContact O-N 3.2Å; H133-E136 VanDerWaalsContact O-N 3.15Å; H133-R194 WeakPolarHBondContact CA-O 3.16Å; H133-R194 HydrophobicContact CB-CG 4.02Å; H133-R194 PolarHBondContact CE1-NH1 2.81Å; H133-R194 PolarHBondContact CE1-NH2 3Å; H133-R194 PolarHBondContact ND1-NH1 2.9Å; H133-R194 VanDerWaalsContact ND1-NH1 3.15Å; H133-R194 PolarHBondContact NE2-NH2 3.34Å; H133-R194 VanDerWaalsContact NE2-NH2 3.13Å; H133-D201 IonicContact CD2-OD1 3.49Å; H133-D201 IonicContact NE2-OD1 3.43Å; H133-D201 PolarHBondContact NE2-OD1 3.01Å; H133-D201 IonicContact NE2-OD2 3.61Å; H133-H240 AromaticContact CE1-CE1 3.48Å; H133-H240 PolarHBondContact CE1-CE1 2.93Å; H133-H240 VanDerWaalsContact CE1-CE1 3.48Å; H133-H240 AromaticContact CE1-ND1 3.57Å; H133-H240 AromaticContact ND1-CE1 3.62Å; H133-H240 AromaticContact ND1-ND1 3.34Å; H133-H240 PolarHBondContact ND1-ND1 3.44Å
134	G	98.6	Very high	98.7	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.005	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-31.7	-172.3	0	0	0	0	0	114	N131 E136 Y180 S183 G193	N131-G134 VanDerWaalsContact ND2-C 3.34Å; N131-G134 WeakPolarHBondContact ND2-CA 3.23Å; N131-G134 PolarHBondContact ND2-O 3.23Å; G134-E136 PolarHBondContact O-N 2.69Å; G134-Y180 VanDerWaalsContact CA-N 3.34Å; G134-Y180 WeakPolarHBondContact O-CA 3.26Å; G134-S183 VanDerWaalsContact C-OG 3.25Å; G134-S183 PolarHBondContact O-OG 3.18Å; G134-G193 CarbonylContact C-O 3.57Å; G134-G193 WeakPolarHBondContact CA-O 3.5Å; G134-G193 PolarHBondContact N-O 2.64Å
135	N	98.6	Very high	98.8	Very high	5 Å²	5	1.2 Å²	1.2	3%	0.027	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	8.9	178.5	70	-33	0	0	0	114.5	H133 P137 S183 G190 Q192 G193 R194 K349	H133-N135 VanDerWaalsContact C-N 3.28Å; H133-N135 PolarHBondContact O-N 2.97Å; N135-P137 WeakPolarHBondContact O-CD 3.34Å; N135-S183 WeakPolarHBondContact CA-OG 3.5Å; N135-S183 WeakPolarHBondContact CB-OG 3.27Å; N135-S183 PolarHBondContact N-OG 2.92Å; N135-S183 VanDerWaalsContact N-OG 3.16Å; N135-G190 PolarHBondContact ND2-O 2.95Å; N135-Q192 WeakPolarHBondContact CB-O 3.38Å; N135-G193 PolarHBondContact N-O 3.47Å; N135-R194 WeakPolarHBondContact OD1-CA 3.26Å; N135-R194 WeakPolarHBondContact OD1-CB 3.29Å; N135-R194 PolarHBondContact OD1-N 3.44Å; N135-K349 CarbonylContact O-C 3.39Å; N135-K349 WeakPolarHBondContact O-CB 3.29Å
136	E	98.7	Very high	98.8	Very high	3 Å²	3	0.9 Å²	0.9	1%	0.014	0%	0.004	C	C	.	.			trans	-113	63.8	174.3	-65.3	165.9	-154	0	0	109.6	N131 H133 G134 V138 R194 H240 G241 K349	N131-E136 PolarHBondContact ND2-O 3.37Å; H133-E136 HydrophobicContact CB-CB 4.29Å; H133-E136 VanDerWaalsContact CB-CD 3.47Å; H133-E136 HydrophobicContact CB-CG 4.02Å; H133-E136 WeakPolarHBondContact CB-OE1 3.42Å; H133-E136 IonicContact CE1-OE1 3.45Å; H133-E136 IonicContact CE1-OE2 3.82Å; H133-E136 IonicContact CG-OE1 2.99Å; H133-E136 IonicContact CG-OE2 3.88Å; H133-E136 IonicContact ND1-OE1 3.11Å; H133-E136 PolarHBondContact ND1-OE1 3.29Å; H133-E136 IonicContact ND1-OE2 2.87Å; H133-E136 PolarHBondContact ND1-OE2 3.33Å; H133-E136 PolarHBondContact O-N 3.2Å; H133-E136 VanDerWaalsContact O-N 3.15Å; G134-E136 PolarHBondContact O-N 2.69Å; E136-V138 PolarHBondContact O-N 2.97Å; E136-R194 IonicContact OE1-NH1 2.78Å; E136-R194 PolarHBondContact OE1-NH1 3.36Å; E136-R194 VanDerWaalsContact OE1-NH1 3.08Å; E136-H240 IonicContact OE2-CG 3.93Å; E136-H240 IonicContact OE2-ND1 3.87Å; E136-H240 PolarHBondContact OE2-ND1 3.05Å; E136-G241 WeakPolarHBondContact CG-O 3.27Å; E136-G241 PolarHBondContact OE2-N 2.82Å; E136-K349 HydrophobicContact CG-CB 4.22Å; E136-K349 HydrophobicContact CG-CD 4.27Å; E136-K349 HydrophobicContact CG-CG 4.13Å
137	P	98.6	Very high	98.8	Very high	0 Å²	0	0.9 Å²	0.9	0%	0	0%	0.004	C	C	.	.			trans	-80.9	-7.5	-168.7	33.7	-41.2	0	0	0	115.7	Y72 N135 G139 R140 E141 Y180 K349 F350	Y72-P137 HydrophobicContact CD1-CB 4.14Å; Y72-P137 HydrophobicContact CD1-CG 4.23Å; Y72-P137 HydrophobicContact CE1-CB 3.88Å; Y72-P137 HydrophobicContact CE1-CG 3.62Å; N135-P137 WeakPolarHBondContact O-CD 3.34Å; P137-G139 PolarHBondContact O-N 2.99Å; P137-R140 WeakPolarHBondContact O-CA 3.47Å; P137-R140 VanDerWaalsContact O-CB 3.27Å; P137-R140 WeakPolarHBondContact O-CB 3.34Å; P137-R140 PolarHBondContact O-N 3.03Å; P137-E141 PolarHBondContact O-N 3.17Å; P137-Y180 HydrophobicContact CB-CD2 3.85Å; P137-Y180 HydrophobicContact CB-CE2 3.57Å; P137-Y180 HydrophobicContact CG-CE2 4.49Å; P137-K349 WeakPolarHBondContact CD-O 3.39Å; P137-F350 HydrophobicContact CG-CB 4.23Å; P137-F350 HydrophobicContact CG-CD1 3.73Å; P137-F350 HydrophobicContact CG-CD2 3.53Å; P137-F350 HydrophobicContact CG-CE1 3.9Å; P137-F350 HydrophobicContact CG-CE2 3.75Å; P137-F350 HydrophobicContact CG-CG 3.55Å; P137-F350 HydrophobicContact CG-CZ 3.92Å
138	V	98.8	Very high	98.7	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.006	1%	0.008	C	C	.	.	H	α-helix	trans	-56.9	-44.1	-179.7	-177.6	0	0	0	0	110.4	E136 R140 E141 M142 I345 S346 P351 Y359	E136-V138 PolarHBondContact O-N 2.97Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 2.85Å; V138-E141 PolarHBondContact O-N 3Å; V138-M142 HydrophobicContact CG1-CE 4.5Å; V138-M142 HydrophobicContact CG1-CG 4.14Å; V138-M142 VanDerWaalsContact O-CG 3.25Å; V138-M142 WeakPolarHBondContact O-CG 3.45Å; V138-M142 PolarHBondContact O-N 2.95Å; V138-I345 HydrophobicContact CB-CD1 4.27Å; V138-I345 HydrophobicContact CG1-CD1 3.71Å; V138-I345 HydrophobicContact CG1-CG1 4.2Å; V138-S346 WeakPolarHBondContact CG2-OG 3.38Å; V138-P351 VanDerWaalsContact CG2-CD 3.49Å; V138-P351 HydrophobicContact CG2-CG 3.55Å; V138-Y359 HydrophobicContact CG1-CD1 4Å; V138-Y359 HydrophobicContact CG1-CD2 4.24Å; V138-Y359 HydrophobicContact CG1-CG 3.77Å
139	G	98.8	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-60.1	-35.5	175.5	0	0	0	0	0	113.9	P137 L143	P137-G139 PolarHBondContact O-N 2.99Å; G139-L143 WeakPolarHBondContact O-CB 3.49Å; G139-L143 VanDerWaalsContact O-CG 3.23Å; G139-L143 WeakPolarHBondContact O-CG 3.48Å; G139-L143 PolarHBondContact O-N 3.03Å; G139-L143 VanDerWaalsContact O-N 3.14Å
140	R	98.8	Very high	98.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-59.6	-52.7	175.3	170.9	-166.3	-178.1	105	1.1	110.6	H73 D74 L78 N131 P137 V138 L143 L144 P173 T174	H73-R140 VanDerWaalsContact O-CZ 3.25Å; H73-R140 PolarHBondContact O-NE 3.2Å; H73-R140 PolarHBondContact O-NH2 3.39Å; D74-R140 PolarHBondContact O-NH2 3.05Å; L78-R140 HydrophobicContact CD1-CG 4.17Å; L78-R140 VanDerWaalsContact CD1-CZ 3.5Å; N131-R140 HydrophobicContact CB-CB 3.83Å; P137-R140 WeakPolarHBondContact O-CA 3.47Å; P137-R140 VanDerWaalsContact O-CB 3.27Å; P137-R140 WeakPolarHBondContact O-CB 3.34Å; P137-R140 PolarHBondContact O-N 3.03Å; V138-R140 VanDerWaalsContact C-N 3.29Å; V138-R140 PolarHBondContact O-N 2.85Å; R140-L143 PolarHBondContact O-N 3.47Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 3.14Å; R140-P173 VanDerWaalsContact CA-O 3.29Å; R140-P173 WeakPolarHBondContact CA-O 3.19Å; R140-P173 WeakPolarHBondContact CB-O 3.3Å; R140-T174 PolarHBondContact NH1-OG1 2.96Å
141	E	98.8	Very high	98.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-69.1	-39.4	-177.8	-55.6	-52.5	149.6	0	0	112	Y72 H73 P137 V138 L143 L144 H145 L356	Y72-E141 HydrophobicContact CD1-CG 3.75Å; Y72-E141 HydrophobicContact CE1-CG 4.05Å; H73-E141 IonicContact CE1-OE2 2.69Å; H73-E141 IonicContact CG-OE2 3.83Å; H73-E141 PolarHBondContact N-OE1 2.82Å; H73-E141 IonicContact ND1-OE2 2.65Å; H73-E141 PolarHBondContact ND1-OE2 3.39Å; P137-E141 PolarHBondContact O-N 3.17Å; V138-E141 PolarHBondContact O-N 3Å; E141-L143 PolarHBondContact O-N 3.2Å; E141-L144 PolarHBondContact O-N 3.46Å; E141-L144 VanDerWaalsContact O-N 3.13Å; E141-H145 PolarHBondContact O-CD2 3.21Å; E141-H145 PolarHBondContact O-N 2.82Å; E141-L356 HydrophobicContact CB-CD2 4.13Å; E141-L356 HydrophobicContact CG-CD1 4.11Å; E141-L356 HydrophobicContact CG-CD2 4.13Å
142	M	98.8	Very high	98.5	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-57.7	-38.5	176	-68.3	-49.4	90.9	0	0	111.9	V138 L146 L239 I345 Y359 W360 L367	V138-M142 HydrophobicContact CG1-CE 4.5Å; V138-M142 HydrophobicContact CG1-CG 4.14Å; V138-M142 VanDerWaalsContact O-CG 3.25Å; V138-M142 WeakPolarHBondContact O-CG 3.45Å; V138-M142 PolarHBondContact O-N 2.95Å; M142-L146 VanDerWaalsContact O-CB 3.28Å; M142-L146 WeakPolarHBondContact O-CB 3.23Å; M142-L146 PolarHBondContact O-N 2.82Å; M142-L239 HydrophobicContact CB-CD2 4.32Å; M142-I345 HydrophobicContact CB-CD1 4.44Å; M142-I345 HydrophobicContact CG-CD1 3.68Å; M142-Y359 VanDerWaalsContact SD-C 3.52Å; M142-W360 HydrophobicContact CE-CB 4.05Å; M142-W360 WeakPolarHBondContact SD-CA 3.3Å; M142-W360 HydrophobicContact SD-CB 3.93Å; M142-W360 HydrophobicContact SD-CE3 4.18Å; M142-W360 PolarHBondContact SD-N 3.38Å; M142-L367 HydrophobicContact CB-CD1 4.33Å
143	L	98.9	Very high	98.4	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-73	-33.4	178.5	-69.4	-178.3	0	0	0	112.9	Y128 G139 R140 E141 L146 I147 I171 P173 L239	Y128-L143 HydrophobicContact CD2-CD2 3.98Å; Y128-L143 HydrophobicContact CG-CD2 3.81Å; G139-L143 WeakPolarHBondContact O-CB 3.49Å; G139-L143 VanDerWaalsContact O-CG 3.23Å; G139-L143 WeakPolarHBondContact O-CG 3.48Å; G139-L143 PolarHBondContact O-N 3.03Å; G139-L143 VanDerWaalsContact O-N 3.14Å; R140-L143 PolarHBondContact O-N 3.47Å; E141-L143 PolarHBondContact O-N 3.2Å; L143-L146 HydrophobicContact CD2-CD2 4.24Å; L143-L146 PolarHBondContact O-N 3.41Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.41Å; L143-I147 PolarHBondContact O-N 3.26Å; L143-I147 VanDerWaalsContact O-N 3.08Å; L143-I171 HydrophobicContact CB-CG2 3.65Å; L143-I171 HydrophobicContact CD1-CG2 4.09Å; L143-I171 HydrophobicContact CD2-CG2 4.02Å; L143-I171 HydrophobicContact CG-CG2 4.1Å; L143-P173 HydrophobicContact CB-CB 4.28Å; L143-L239 HydrophobicContact CD1-CD1 4.43Å; L143-L239 HydrophobicContact CD2-CD1 4.3Å; L143-L239 HydrophobicContact CD2-CD2 4.1Å; L143-L239 HydrophobicContact CG-CD2 4.08Å
144	L	98.8	Very high	98.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.3	-45.6	172.4	-61	-176.6	0	0	0	111.6	L68 H73 L78 F81 L82 R140 E141 L146 I147 Q148 P173	L68-L144 HydrophobicContact CD2-CB 3.55Å; L68-L144 HydrophobicContact CD2-CD1 4.42Å; H73-L144 HydrophobicContact CB-CD1 4.21Å; L78-L144 HydrophobicContact CB-CD1 4.45Å; L78-L144 HydrophobicContact CD1-CD1 4.15Å; L78-L144 HydrophobicContact CD1-CD2 4.14Å; L78-L144 HydrophobicContact CG-CD1 4.14Å; L78-L144 HydrophobicContact CG-CD2 3.95Å; F81-L144 HydrophobicContact CD1-CB 4.4Å; F81-L144 HydrophobicContact CD1-CD2 3.95Å; F81-L144 HydrophobicContact CE1-CB 4.05Å; F81-L144 HydrophobicContact CE1-CD2 4.07Å; L82-L144 HydrophobicContact CD2-CD2 4.02Å; R140-L144 WeakPolarHBondContact O-CG 3.41Å; R140-L144 PolarHBondContact O-N 3.14Å; E141-L144 PolarHBondContact O-N 3.46Å; E141-L144 VanDerWaalsContact O-N 3.13Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 3.21Å; L144-I147 WeakPolarHBondContact O-CB 3.46Å; L144-I147 PolarHBondContact O-N 2.96Å; L144-Q148 PolarHBondContact O-N 3.42Å; L144-Q148 VanDerWaalsContact O-N 3.08Å; L144-P173 HydrophobicContact CD2-CB 3.75Å; L144-P173 HydrophobicContact CD2-CG 3.64Å; L144-P173 HydrophobicContact CG-CB 4.32Å
145	H	98.7	Very high	98.3	Very high	5 Å²	5	15.5 Å²	15.5	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-66.6	-31.8	175.7	-72.4	-70.2	0	0	0	112.5	L68 F70 E141 Q148 Y149 W360	L68-H145 PolarHBondContact O-CE1 3.41Å; F70-H145 AromaticContact CD1-CD2 3.82Å; F70-H145 AromaticContact CD1-CE1 3.53Å; F70-H145 AromaticContact CD1-NE2 3.22Å; F70-H145 WeakPolarHBondContact CD1-NE2 3.24Å; F70-H145 AromaticContact CE1-CD2 3.62Å; F70-H145 AromaticContact CE1-CE1 3.51Å; F70-H145 AromaticContact CE1-CG 3.79Å; F70-H145 AromaticContact CE1-ND1 3.73Å; F70-H145 AromaticContact CE1-NE2 3.43Å; F70-H145 WeakPolarHBondContact CE1-NE2 3.41Å; F70-H145 AromaticContact CG-CE1 3.97Å; F70-H145 AromaticContact CG-NE2 3.95Å; F70-H145 AromaticContact CZ-CE1 3.94Å; F70-H145 AromaticContact CZ-ND1 3.96Å; E141-H145 PolarHBondContact O-CD2 3.21Å; E141-H145 PolarHBondContact O-N 2.82Å; H145-Q148 PolarHBondContact O-N 3.45Å; H145-Y149 VanDerWaalsContact O-CB 3.31Å; H145-Y149 WeakPolarHBondContact O-CB 3.45Å; H145-Y149 PolarHBondContact O-N 2.83Å; H145-W360 HydrophobicContact CB-CD2 3.98Å; H145-W360 HydrophobicContact CB-CE3 3.65Å; H145-W360 HydrophobicContact CB-CH2 4.36Å; H145-W360 HydrophobicContact CB-CZ3 3.86Å
146	L	98.9	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.1	-43.7	173.1	-173.7	64.5	0	0	0	112	Y128 M142 L143 L144 Q148 Y149 F150 I171 W360 L367 I368	Y128-L146 HydrophobicContact CD2-CD2 3.96Å; Y128-L146 HydrophobicContact CE2-CD2 4Å; M142-L146 VanDerWaalsContact O-CB 3.28Å; M142-L146 WeakPolarHBondContact O-CB 3.23Å; M142-L146 PolarHBondContact O-N 2.82Å; L143-L146 HydrophobicContact CD2-CD2 4.24Å; L143-L146 PolarHBondContact O-N 3.41Å; L144-L146 VanDerWaalsContact C-N 3.31Å; L144-L146 PolarHBondContact O-N 3.21Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 2.66Å; L146-Y149 PolarHBondContact O-N 3.38Å; L146-F150 HydrophobicContact CD1-CD2 4.26Å; L146-F150 HydrophobicContact CD1-CE1 4.08Å; L146-F150 HydrophobicContact CD1-CE2 3.71Å; L146-F150 HydrophobicContact CD1-CZ 3.61Å; L146-F150 HydrophobicContact CD2-CE2 3.9Å; L146-F150 HydrophobicContact CD2-CZ 4.32Å; L146-F150 HydrophobicContact CG-CD2 3.97Å; L146-F150 HydrophobicContact CG-CE2 3.53Å; L146-F150 HydrophobicContact CG-CZ 3.98Å; L146-F150 WeakPolarHBondContact O-CD2 3.4Å; L146-F150 WeakPolarHBondContact O-CG 3.3Å; L146-F150 PolarHBondContact O-N 2.9Å; L146-I171 HydrophobicContact CD2-CD1 4.17Å; L146-I171 HydrophobicContact CG-CD1 4.42Å; L146-W360 HydrophobicContact CB-CH2 4.24Å; L146-W360 HydrophobicContact CB-CZ3 4.03Å; L146-W360 HydrophobicContact CD1-CH2 4.11Å; L146-W360 HydrophobicContact CD1-CZ3 4.43Å; L146-L367 HydrophobicContact CD1-CB 4.3Å; L146-L367 HydrophobicContact CD2-CB 4.22Å; L146-I368 HydrophobicContact CD1-CG1 4.13Å
147	I	98.8	Very high	98.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-56.9	-51	173.8	-70.2	161.8	0	0	0	109.9	F81 L82 T85 M110 V112 L143 L144 Y149 F150 V151 I171 P173	F81-I147 HydrophobicContact CE1-CB 4.44Å; F81-I147 HydrophobicContact CE1-CG2 4.28Å; F81-I147 HydrophobicContact CZ-CG2 4.35Å; L82-I147 HydrophobicContact CD2-CD1 3.66Å; T85-I147 HydrophobicContact CG2-CG2 4.01Å; M110-I147 HydrophobicContact CB-CD1 3.65Å; M110-I147 HydrophobicContact CB-CG1 4.21Å; M110-I147 HydrophobicContact CG-CD1 4.01Å; M110-I147 HydrophobicContact CG-CG1 4.14Å; M110-I147 HydrophobicContact CG-CG2 3.96Å; V112-I147 HydrophobicContact CG2-CG1 4.22Å; V112-I147 HydrophobicContact CG2-CG2 4.34Å; L143-I147 VanDerWaalsContact O-CG1 3.31Å; L143-I147 WeakPolarHBondContact O-CG1 3.41Å; L143-I147 PolarHBondContact O-N 3.26Å; L143-I147 VanDerWaalsContact O-N 3.08Å; L144-I147 WeakPolarHBondContact O-CB 3.46Å; L144-I147 PolarHBondContact O-N 2.96Å; I147-Y149 PolarHBondContact O-N 3.46Å; I147-F150 PolarHBondContact O-N 3.39Å; I147-V151 PolarHBondContact O-N 2.99Å; I147-I171 HydrophobicContact CD1-CB 4.19Å; I147-I171 HydrophobicContact CD1-CG2 3.89Å; I147-I171 HydrophobicContact CG1-CB 4.22Å; I147-I171 HydrophobicContact CG1-CD1 3.64Å; I147-I171 HydrophobicContact CG1-CG1 4.5Å; I147-I171 HydrophobicContact CG1-CG2 4.13Å; I147-P173 HydrophobicContact CD1-CG 4.29Å
148	Q	97.6	Very high	98.2	Very high	16 Å²	16	29.4 Å²	29.4	8%	0.075	15%	0.154	C	C	.	.	H	α-helix	trans	-58.9	-49	178.9	-170.5	-162	-27.7	0	0	111.3	H67 F81 L144 H145 L146 F150 V151 T152	H67-Q148 VanDerWaalsContact CA-NE2 3.34Å; H67-Q148 PolarHBondContact ND1-NE2 3.02Å; F81-Q148 HydrophobicContact CE2-CB 4.42Å; F81-Q148 HydrophobicContact CZ-CB 4.05Å; L144-Q148 PolarHBondContact O-N 3.42Å; L144-Q148 VanDerWaalsContact O-N 3.08Å; H145-Q148 PolarHBondContact O-N 3.45Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 2.66Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 2.93Å; Q148-V151 VanDerWaalsContact O-CG2 3.23Å; Q148-V151 WeakPolarHBondContact O-CG2 3.21Å; Q148-V151 PolarHBondContact O-N 3.15Å; Q148-T152 HydrophobicContact CG-CG2 4.29Å; Q148-T152 WeakPolarHBondContact O-CG2 3.47Å; Q148-T152 PolarHBondContact O-N 3.42Å; Q148-T152 PolarHBondContact O-OG1 3.17Å
149	Y	98.3	Very high	98.1	Very high	51 Å²	51	32.8 Å²	32.8	20%	0.2	17%	0.167	C	C	.	.	H	α-helix	trans	-57	-44.4	-178.9	179.5	-100.7	0	0	0	111.7	H145 L146 I147 T152 S153 D157 V160 W360 I368	H145-Y149 VanDerWaalsContact O-CB 3.31Å; H145-Y149 WeakPolarHBondContact O-CB 3.45Å; H145-Y149 PolarHBondContact O-N 2.83Å; L146-Y149 PolarHBondContact O-N 3.38Å; I147-Y149 PolarHBondContact O-N 3.46Å; Y149-T152 PolarHBondContact O-OG1 2.68Å; Y149-S153 VanDerWaalsContact CE2-OG 3.28Å; Y149-S153 WeakPolarHBondContact CE2-OG 3.29Å; Y149-S153 WeakPolarHBondContact O-CB 3.3Å; Y149-S153 PolarHBondContact O-N 2.97Å; Y149-S153 PolarHBondContact O-OG 3.2Å; Y149-D157 PolarHBondContact OH-OD2 3.46Å; Y149-V160 HydrophobicContact CD1-CG2 4.37Å; Y149-V160 HydrophobicContact CE1-CG2 3.55Å; Y149-W360 HydrophobicContact CD2-CZ2 4.21Å; Y149-W360 HydrophobicContact CG-CH2 4.29Å; Y149-W360 AromaticContact CG-CZ2 3.98Å; Y149-W360 HydrophobicContact CG-CZ2 3.98Å; Y149-I368 HydrophobicContact CD1-CD1 3.94Å; Y149-I368 HydrophobicContact CE1-CD1 3.47Å; Y149-I368 VanDerWaalsContact CE1-CD1 3.47Å
150	F	98.5	Very high	98.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.2	-47.8	179.3	-77.5	-30.7	0	0	0	112.9	V112 L146 I147 Q148 T152 S153 Y154 V160 L163 L164 I169 I171 I368 L371	V112-F150 HydrophobicContact CB-CD2 4.45Å; V112-F150 HydrophobicContact CG1-CB 3.69Å; V112-F150 HydrophobicContact CG1-CD2 4.24Å; V112-F150 HydrophobicContact CG1-CG 4.37Å; L146-F150 HydrophobicContact CD1-CD2 4.26Å; L146-F150 HydrophobicContact CD1-CE1 4.08Å; L146-F150 HydrophobicContact CD1-CE2 3.71Å; L146-F150 HydrophobicContact CD1-CZ 3.61Å; L146-F150 HydrophobicContact CD2-CE2 3.9Å; L146-F150 HydrophobicContact CD2-CZ 4.32Å; L146-F150 HydrophobicContact CG-CD2 3.97Å; L146-F150 HydrophobicContact CG-CE2 3.53Å; L146-F150 HydrophobicContact CG-CZ 3.98Å; L146-F150 WeakPolarHBondContact O-CD2 3.4Å; L146-F150 WeakPolarHBondContact O-CG 3.3Å; L146-F150 PolarHBondContact O-N 2.9Å; I147-F150 PolarHBondContact O-N 3.39Å; Q148-F150 VanDerWaalsContact C-N 3.3Å; Q148-F150 PolarHBondContact O-N 2.93Å; F150-T152 VanDerWaalsContact C-N 3.35Å; F150-T152 PolarHBondContact O-N 2.97Å; F150-S153 PolarHBondContact O-N 2.53Å; F150-Y154 PolarHBondContact O-N 3.11Å; F150-Y154 VanDerWaalsContact O-N 3.15Å; F150-V160 HydrophobicContact CD1-CG1 3.81Å; F150-V160 HydrophobicContact CD1-CG2 4.34Å; F150-L163 HydrophobicContact CE1-CD2 4.08Å; F150-L163 HydrophobicContact CZ-CD2 4.05Å; F150-L164 HydrophobicContact CB-CD1 4.06Å; F150-L164 HydrophobicContact CB-CD2 4.4Å; F150-L164 HydrophobicContact CD1-CD2 4.35Å; F150-L164 HydrophobicContact CD2-CD2 4.35Å; F150-L164 HydrophobicContact CG-CD2 4.15Å; F150-I169 HydrophobicContact CD2-CD1 4.37Å; F150-I169 HydrophobicContact CE2-CD1 3.77Å; F150-I169 HydrophobicContact CZ-CD1 4.02Å; F150-I171 HydrophobicContact CE2-CD1 4.46Å; F150-I368 HydrophobicContact CE1-CG1 4.01Å; F150-I368 HydrophobicContact CE1-CG2 4.41Å; F150-I368 HydrophobicContact CZ-CG1 4.31Å; F150-L371 HydrophobicContact CE2-CD1 4.09Å; F150-L371 HydrophobicContact CZ-CD1 3.81Å
151	V	97.7	Very high	98.1	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-69.6	-32.9	-178.2	-60.2	0	0	0	0	112.5	T85 Y89 T93 V112 I147 Q148	T85-V151 HydrophobicContact CG2-CG1 4.3Å; T85-V151 HydrophobicContact CG2-CG2 4.13Å; Y89-V151 HydrophobicContact CD1-CB 4.05Å; Y89-V151 HydrophobicContact CD2-CB 3.77Å; Y89-V151 HydrophobicContact CD2-CG1 4.28Å; Y89-V151 HydrophobicContact CD2-CG2 3.64Å; Y89-V151 HydrophobicContact CE1-CB 4.33Å; Y89-V151 HydrophobicContact CE2-CB 4.05Å; Y89-V151 HydrophobicContact CE2-CG2 3.55Å; Y89-V151 HydrophobicContact CG-CB 3.77Å; Y89-V151 HydrophobicContact CG-CG1 4.23Å; Y89-V151 HydrophobicContact CG-CG2 4.17Å; T93-V151 HydrophobicContact CG2-CG1 3.47Å; T93-V151 VanDerWaalsContact CG2-CG1 3.47Å; V112-V151 HydrophobicContact CG1-CG1 4.2Å; I147-V151 PolarHBondContact O-N 2.99Å; Q148-V151 VanDerWaalsContact O-CG2 3.23Å; Q148-V151 WeakPolarHBondContact O-CG2 3.21Å; Q148-V151 PolarHBondContact O-N 3.15Å
152	T	96.5	Very high	98	Very high	59 Å²	59	40.6 Å²	40.6	36%	0.362	20%	0.198	S	C	.	.	H	α-helix	trans	-80.7	-26.5	178.5	58	0	0	0	0	113.1	Q148 Y149 F150	Q148-T152 HydrophobicContact CG-CG2 4.29Å; Q148-T152 WeakPolarHBondContact O-CG2 3.47Å; Q148-T152 PolarHBondContact O-N 3.42Å; Q148-T152 PolarHBondContact O-OG1 3.17Å; Y149-T152 PolarHBondContact O-OG1 2.68Å; F150-T152 VanDerWaalsContact C-N 3.35Å; F150-T152 PolarHBondContact O-N 2.97Å
153	S	97.3	Very high	98	Very high	13 Å²	13	40.6 Å²	40.6	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-96.8	-8.3	-175	-55.4	0	0	0	0	113.9	Y149 F150 N155 T156 D157	Y149-S153 VanDerWaalsContact CE2-OG 3.28Å; Y149-S153 WeakPolarHBondContact CE2-OG 3.29Å; Y149-S153 WeakPolarHBondContact O-CB 3.3Å; Y149-S153 PolarHBondContact O-N 2.97Å; Y149-S153 PolarHBondContact O-OG 3.2Å; F150-S153 PolarHBondContact O-N 2.53Å; S153-N155 PolarHBondContact O-N 2.81Å; S153-N155 VanDerWaalsContact O-N 3.13Å; S153-T156 WeakPolarHBondContact CA-OG1 3.44Å; S153-T156 PolarHBondContact O-N 3.13Å; S153-T156 PolarHBondContact O-OG1 2.92Å; S153-D157 PolarHBondContact O-N 2.71Å
154	Y	97.8	Very high	98	Very high	31 Å²	31	40.6 Å²	40.6	12%	0.122	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.6	-175.3	179.1	-104.3	0	0	0	114.6	L92 F150 K161 L164 D165	L92-Y154 HydrophobicContact CD1-CD1 3.78Å; L92-Y154 HydrophobicContact CD1-CD2 4.45Å; L92-Y154 HydrophobicContact CD1-CG 3.7Å; L92-Y154 HydrophobicContact CD2-CD1 3.89Å; L92-Y154 HydrophobicContact CD2-CD2 4.03Å; L92-Y154 HydrophobicContact CD2-CE1 3.9Å; L92-Y154 HydrophobicContact CD2-CE2 4.02Å; L92-Y154 HydrophobicContact CD2-CG 3.94Å; L92-Y154 HydrophobicContact CG-CD1 4.41Å; L92-Y154 HydrophobicContact CG-CG 4.49Å; F150-Y154 PolarHBondContact O-N 3.11Å; F150-Y154 VanDerWaalsContact O-N 3.15Å; Y154-K161 HydrophobicContact CD2-CB 4.43Å; Y154-K161 HydrophobicContact CD2-CG 4.36Å; Y154-K161 HydrophobicContact CE2-CB 4.47Å; Y154-K161 HydrophobicContact CE2-CG 3.96Å; Y154-K161 WeakPolarHBondContact O-CB 3.23Å; Y154-K161 PolarHBondContact OH-NZ 2.89Å; Y154-L164 HydrophobicContact CD2-CB 3.93Å; Y154-L164 HydrophobicContact CD2-CD1 3.78Å; Y154-L164 HydrophobicContact CD2-CG 4.29Å; Y154-L164 HydrophobicContact CE2-CB 3.99Å; Y154-L164 HydrophobicContact CG-CD1 4.45Å; Y154-D165 WeakPolarHBondContact CE2-OD1 3.15Å; Y154-D165 PolarHBondContact OH-OD1 2.85Å
155	N	96.6	Very high	98	Very high	134 Å²	134	43 Å²	43	72%	0.717	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-6.7	-179.4	-68.7	-39.7	0	0	0	113.8	S153	S153-N155 PolarHBondContact O-N 2.81Å; S153-N155 VanDerWaalsContact O-N 3.13Å
156	T	97	Very high	97.9	Very high	112 Å²	112	46.1 Å²	46.1	69%	0.687	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-32.8	-170.8	53.8	0	0	0	0	113.2	S153	S153-T156 WeakPolarHBondContact CA-OG1 3.44Å; S153-T156 PolarHBondContact O-N 3.13Å; S153-T156 PolarHBondContact O-OG1 2.92Å
157	D	97.8	Very high	97.9	Very high	47 Å²	47	46.1 Å²	46.1	25%	0.251	23%	0.228	S	C	.	.			trans	-105.1	111.5	178.1	-178.2	-23.1	0	0	0	109.9	Y149 S153 Y159 V160 K161	Y149-D157 PolarHBondContact OH-OD2 3.46Å; S153-D157 PolarHBondContact O-N 2.71Å; D157-Y159 VanDerWaalsContact C-N 3.26Å; D157-Y159 PolarHBondContact O-N 3.19Å; D157-Y159 WeakPolarHBondContact OD1-CA 3.44Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.37Å; D157-Y159 PolarHBondContact OD1-N 3.33Å; D157-V160 HydrophobicContact CB-CB 3.98Å; D157-V160 HydrophobicContact CB-CG2 3.97Å; D157-V160 PolarHBondContact O-N 3.35Å; D157-V160 PolarHBondContact OD1-N 3.31Å; D157-V160 WeakPolarHBondContact OD2-CG2 3.45Å; D157-K161 WeakPolarHBondContact O-CB 3.23Å; D157-K161 PolarHBondContact O-N 3.13Å
158	Q	98.1	Very high	97.9	Very high	141 Å²	141	47.4 Å²	47.4	66%	0.659	23%	0.233	S	C	*	.	H	α-helix	trans	-63.6	-30.1	-178.5	-66.4	-61.4	-33.6	0	0	113.1	W162	Q158-W162 WeakPolarHBondContact O-CB 3.31Å; Q158-W162 PolarHBondContact O-N 2.75Å
159	Y	97.8	Very high	97.9	Very high	73 Å²	73	46.6 Å²	46.6	29%	0.286	23%	0.229	S	C	.	.	H	α-helix	trans	-73.4	-42.9	178.2	-172.8	-109.6	0	0	0	110.8	D157 W162 L163 I368 K369 A372	D157-Y159 VanDerWaalsContact C-N 3.26Å; D157-Y159 PolarHBondContact O-N 3.19Å; D157-Y159 WeakPolarHBondContact OD1-CA 3.44Å; D157-Y159 WeakPolarHBondContact OD1-CB 3.37Å; D157-Y159 PolarHBondContact OD1-N 3.33Å; Y159-W162 HydrophobicContact CE2-CE3 4.29Å; Y159-W162 HydrophobicContact CE2-CZ3 4.38Å; Y159-W162 PolarHBondContact O-N 2.9Å; Y159-L163 WeakPolarHBondContact O-CB 3.19Å; Y159-L163 PolarHBondContact O-N 3.47Å; Y159-I368 HydrophobicContact CD1-CG2 3.87Å; Y159-I368 HydrophobicContact CE1-CG2 3.59Å; Y159-K369 HydrophobicContact CE1-CD 4.18Å; Y159-A372 WeakPolarHBondContact OH-CB 3.49Å
160	V	98.4	Very high	98	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-45.7	172.1	170.9	0	0	0	0	110.7	Y149 F150 D157 W162 L163 L164	Y149-V160 HydrophobicContact CD1-CG2 4.37Å; Y149-V160 HydrophobicContact CE1-CG2 3.55Å; F150-V160 HydrophobicContact CD1-CG1 3.81Å; F150-V160 HydrophobicContact CD1-CG2 4.34Å; D157-V160 HydrophobicContact CB-CB 3.98Å; D157-V160 HydrophobicContact CB-CG2 3.97Å; D157-V160 PolarHBondContact O-N 3.35Å; D157-V160 PolarHBondContact OD1-N 3.31Å; D157-V160 WeakPolarHBondContact OD2-CG2 3.45Å; V160-W162 PolarHBondContact O-N 2.89Å; V160-L163 PolarHBondContact O-N 3.11Å; V160-L164 HydrophobicContact CG1-CD1 4.2Å; V160-L164 HydrophobicContact CG1-CG 4.21Å; V160-L164 WeakPolarHBondContact O-CG 3.24Å; V160-L164 PolarHBondContact O-N 3.26Å
161	K	98.5	Very high	98	Very high	60 Å²	60	44.2 Å²	44.2	26%	0.261	22%	0.22	S	C	.	.	H	α-helix	trans	-54.1	-53.5	176	-179	164.2	171.4	44.6	0	111.3	Y154 D157 L163 L164 D165	Y154-K161 HydrophobicContact CD2-CB 4.43Å; Y154-K161 HydrophobicContact CD2-CG 4.36Å; Y154-K161 HydrophobicContact CE2-CB 4.47Å; Y154-K161 HydrophobicContact CE2-CG 3.96Å; Y154-K161 WeakPolarHBondContact O-CB 3.23Å; Y154-K161 PolarHBondContact OH-NZ 2.89Å; D157-K161 WeakPolarHBondContact O-CB 3.23Å; D157-K161 PolarHBondContact O-N 3.13Å; K161-L163 VanDerWaalsContact C-N 3.3Å; K161-L163 PolarHBondContact O-N 2.98Å; K161-L164 PolarHBondContact O-N 2.83Å; K161-D165 WeakPolarHBondContact CG-OD2 3.4Å; K161-D165 IonicContact NZ-OD1 3.42Å; K161-D165 IonicContact NZ-OD2 3.9Å; K161-D165 PolarHBondContact NZ-OD2 3.42Å; K161-D165 VanDerWaalsContact O-CB 3.29Å; K161-D165 WeakPolarHBondContact O-CB 3.16Å; K161-D165 PolarHBondContact O-N 2.82Å
162	W	98	Very high	98.1	Very high	103 Å²	103	43.9 Å²	43.9	39%	0.39	22%	0.218	S	C	.	.	H	α-helix	trans	-57.1	-44.8	177.5	173.2	85.3	0	0	0	111.6	Q158 Y159 V160 L164 D165 N166 A372 H375	Q158-W162 WeakPolarHBondContact O-CB 3.31Å; Q158-W162 PolarHBondContact O-N 2.75Å; Y159-W162 HydrophobicContact CE2-CE3 4.29Å; Y159-W162 HydrophobicContact CE2-CZ3 4.38Å; Y159-W162 PolarHBondContact O-N 2.9Å; V160-W162 PolarHBondContact O-N 2.89Å; W162-L164 PolarHBondContact O-N 2.59Å; W162-D165 PolarHBondContact O-N 3.01Å; W162-N166 VanDerWaalsContact CD1-ND2 3.3Å; W162-N166 PolarHBondContact NE1-ND2 3.06Å; W162-N166 WeakPolarHBondContact O-CB 3.39Å; W162-N166 PolarHBondContact O-N 2.92Å; W162-N166 PolarHBondContact O-ND2 3.49Å; W162-A372 HydrophobicContact CZ3-CB 4.29Å; W162-H375 HydrophobicContact CH2-CB 4.17Å; W162-H375 AromaticContact CH2-CD2 3.69Å; W162-H375 AromaticContact CH2-CG 3.86Å
163	L	98.4	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.1	-46.4	-179.5	-174.7	67.9	0	0	0	111.6	F150 Y159 V160 K161 N166 T167 I169 I368 L371 A372	F150-L163 HydrophobicContact CE1-CD2 4.08Å; F150-L163 HydrophobicContact CZ-CD2 4.05Å; Y159-L163 WeakPolarHBondContact O-CB 3.19Å; Y159-L163 PolarHBondContact O-N 3.47Å; V160-L163 PolarHBondContact O-N 3.11Å; K161-L163 VanDerWaalsContact C-N 3.3Å; K161-L163 PolarHBondContact O-N 2.98Å; L163-N166 PolarHBondContact O-N 3.42Å; L163-T167 WeakPolarHBondContact CD1-OG1 3.44Å; L163-T167 WeakPolarHBondContact O-CA 3.43Å; L163-T167 WeakPolarHBondContact O-CB 3.34Å; L163-T167 PolarHBondContact O-N 3.49Å; L163-T167 PolarHBondContact O-OG1 2.99Å; L163-I169 HydrophobicContact CD2-CD1 4.18Å; L163-I169 HydrophobicContact CG-CD1 4.24Å; L163-I368 HydrophobicContact CD2-CG2 3.89Å; L163-L371 HydrophobicContact CD1-CB 4.39Å; L163-L371 HydrophobicContact CD2-CB 4.23Å; L163-L371 HydrophobicContact CD2-CD1 4.4Å; L163-A372 HydrophobicContact CD1-CB 4.31Å
164	L	98.5	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-72.9	-29.1	179.6	-60.5	-166.5	0	0	0	113.1	V112 S113 S114 K123 F150 Y154 V160 K161 W162 N166 I169	V112-L164 HydrophobicContact CG1-CD1 3.95Å; V112-L164 HydrophobicContact CG1-CD2 4.05Å; S113-L164 PolarHBondContact OG-O 3.28Å; S114-L164 PolarHBondContact N-O 3.09Å; S114-L164 PolarHBondContact OG-O 3.04Å; K123-L164 PolarHBondContact NZ-O 3.44Å; F150-L164 HydrophobicContact CB-CD1 4.06Å; F150-L164 HydrophobicContact CB-CD2 4.4Å; F150-L164 HydrophobicContact CD1-CD2 4.35Å; F150-L164 HydrophobicContact CD2-CD2 4.35Å; F150-L164 HydrophobicContact CG-CD2 4.15Å; Y154-L164 HydrophobicContact CD2-CB 3.93Å; Y154-L164 HydrophobicContact CD2-CD1 3.78Å; Y154-L164 HydrophobicContact CD2-CG 4.29Å; Y154-L164 HydrophobicContact CE2-CB 3.99Å; Y154-L164 HydrophobicContact CG-CD1 4.45Å; V160-L164 HydrophobicContact CG1-CD1 4.2Å; V160-L164 HydrophobicContact CG1-CG 4.21Å; V160-L164 WeakPolarHBondContact O-CG 3.24Å; V160-L164 PolarHBondContact O-N 3.26Å; K161-L164 PolarHBondContact O-N 2.83Å; W162-L164 PolarHBondContact O-N 2.59Å; L164-N166 VanDerWaalsContact C-N 3.33Å; L164-I169 HydrophobicContact CD2-CD1 3.52Å
165	D	98.1	Very high	98.3	Very high	51 Å²	51	39 Å²	39	27%	0.273	19%	0.191	S	C	.	.	H	α-helix	trans	-67.9	-36.6	174.3	-75.2	-16.4	0	0	0	111.3	S114 K123 Y154 K161 W162	S114-D165 WeakPolarHBondContact CB-OD1 3.43Å; S114-D165 WeakPolarHBondContact OG-CA 3.47Å; S114-D165 PolarHBondContact OG-OD1 2.88Å; K123-D165 VanDerWaalsContact CE-O 3.29Å; K123-D165 WeakPolarHBondContact CE-O 3.49Å; K123-D165 PolarHBondContact NZ-O 3.07Å; Y154-D165 WeakPolarHBondContact CE2-OD1 3.15Å; Y154-D165 PolarHBondContact OH-OD1 2.85Å; K161-D165 WeakPolarHBondContact CG-OD2 3.4Å; K161-D165 IonicContact NZ-OD1 3.42Å; K161-D165 IonicContact NZ-OD2 3.9Å; K161-D165 PolarHBondContact NZ-OD2 3.42Å; K161-D165 VanDerWaalsContact O-CB 3.29Å; K161-D165 WeakPolarHBondContact O-CB 3.16Å; K161-D165 PolarHBondContact O-N 2.82Å; W162-D165 PolarHBondContact O-N 3.01Å
166	N	97.8	Very high	98.4	Very high	70 Å²	70	32.7 Å²	32.7	37%	0.374	16%	0.157	S	C	.	.	H	α-helix	trans	-106.8	-4.9	-173.2	-63.7	-82.5	0	0	0	114.5	K123 P124 W162 L163 L164 H375	K123-N166 WeakPolarHBondContact CG-O 3.19Å; P124-N166 WeakPolarHBondContact CD-O 3.43Å; W162-N166 VanDerWaalsContact CD1-ND2 3.3Å; W162-N166 PolarHBondContact NE1-ND2 3.06Å; W162-N166 WeakPolarHBondContact O-CB 3.39Å; W162-N166 PolarHBondContact O-N 2.92Å; W162-N166 PolarHBondContact O-ND2 3.49Å; L163-N166 PolarHBondContact O-N 3.42Å; L164-N166 VanDerWaalsContact C-N 3.33Å; N166-H375 PolarHBondContact O-CE1 2.87Å
167	T	98.3	Very high	98.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.			trans	-132.4	142.8	-178.5	-35.8	0	0	0	0	111.5	S113 K123 P124 V126 L163 I169 H375	S113-T167 PolarHBondContact OG-O 2.79Å; K123-T167 VanDerWaalsContact CE-N 3.26Å; K123-T167 WeakPolarHBondContact CE-O 3.35Å; P124-T167 HydrophobicContact CG-CG2 4.47Å; V126-T167 HydrophobicContact CB-CG2 4.37Å; V126-T167 HydrophobicContact CG1-CG2 3.9Å; V126-T167 HydrophobicContact CG2-CG2 3.53Å; L163-T167 WeakPolarHBondContact CD1-OG1 3.44Å; L163-T167 WeakPolarHBondContact O-CA 3.43Å; L163-T167 WeakPolarHBondContact O-CB 3.34Å; L163-T167 PolarHBondContact O-N 3.49Å; L163-T167 PolarHBondContact O-OG1 2.99Å; T167-I169 HydrophobicContact CG2-CG1 3.99Å; T167-H375 PolarHBondContact OG1-NE2 3.34Å
168	R	98.6	Very high	98.5	Very high	27 Å²	27	25.2 Å²	25.2	10%	0.102	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.2	169.6	-169.3	163.4	176	-115.2	6.9	109.1	V111 P116 P124 D125 V126 H170	V111-R168 HydrophobicContact CG1-CG 3.78Å; P116-R168 PolarHBondContact O-NE 2.92Å; P116-R168 PolarHBondContact O-NH2 2.78Å; P124-R168 PolarHBondContact O-N 3.27Å; D125-R168 WeakPolarHBondContact CA-O 3.41Å; D125-R168 WeakPolarHBondContact OD1-CB 3.46Å; D125-R168 VanDerWaalsContact OD1-CD 3.31Å; D125-R168 WeakPolarHBondContact OD1-CD 3.37Å; D125-R168 WeakPolarHBondContact OD1-CG 3.45Å; D125-R168 IonicContact OD1-CZ 3.42Å; D125-R168 IonicContact OD1-NH1 3.77Å; D125-R168 PolarHBondContact OD1-NH1 3.18Å; V126-R168 PolarHBondContact N-O 3.01Å; R168-H170 PolarHBondContact NH1-NE2 3.23Å
169	I	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.2	-171.5	-52.7	165.6	0	0	0	108.8	V111 V112 V126 F150 L163 L164 T167 I171 L371	V111-I169 CarbonylContact C-O 3.16Å; V111-I169 VanDerWaalsContact CA-O 3.28Å; V111-I169 WeakPolarHBondContact CA-O 3.33Å; V112-I169 PolarHBondContact N-O 3.45Å; V112-I169 PolarHBondContact O-N 2.93Å; V126-I169 HydrophobicContact CG2-CB 4.11Å; V126-I169 HydrophobicContact CG2-CG1 3.81Å; V126-I169 HydrophobicContact CG2-CG2 4.13Å; F150-I169 HydrophobicContact CD2-CD1 4.37Å; F150-I169 HydrophobicContact CE2-CD1 3.77Å; F150-I169 HydrophobicContact CZ-CD1 4.02Å; L163-I169 HydrophobicContact CD2-CD1 4.18Å; L163-I169 HydrophobicContact CG-CD1 4.24Å; L164-I169 HydrophobicContact CD2-CD1 3.52Å; T167-I169 HydrophobicContact CG2-CG1 3.99Å; I169-I171 HydrophobicContact CG2-CD1 4.12Å; I169-I171 HydrophobicContact CG2-CG1 3.89Å; I169-L371 HydrophobicContact CD1-CD1 4Å; I169-L371 HydrophobicContact CG1-CD1 4.47Å; I169-L371 HydrophobicContact CG2-CD1 4.09Å; I169-L371 HydrophobicContact CG2-CD2 4.27Å
170	H	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.2	175.1	-63.8	-111.3	0	0	0	111.1	Y96 V109 D125 V126 K127 Y128 R168 W227 F233	Y96-H170 AromaticContact CE1-ND1 3.91Å; Y96-H170 AromaticContact CZ-ND1 3.82Å; Y96-H170 PolarHBondContact OH-ND1 2.92Å; V109-H170 HydrophobicContact CG1-CB 3.9Å; D125-H170 IonicContact OD1-CD2 2.68Å; D125-H170 IonicContact OD1-NE2 3.59Å; D125-H170 PolarHBondContact OD1-NE2 2.86Å; V126-H170 PolarHBondContact O-N 3.04Å; K127-H170 CarbonylContact C-O 3.59Å; K127-H170 WeakPolarHBondContact CA-O 3.24Å; K127-H170 HydrophobicContact CB-CB 4.17Å; K127-H170 WeakPolarHBondContact CB-O 3.46Å; Y128-H170 PolarHBondContact N-O 3.3Å; R168-H170 PolarHBondContact NH1-NE2 3.23Å; H170-W227 HydrophobicContact CB-CH2 4.25Å; H170-W227 HydrophobicContact CB-CZ2 3.62Å; H170-F233 HydrophobicContact CB-CE1 4.05Å; H170-F233 HydrophobicContact CB-CZ 4.39Å; H170-F233 AromaticContact CD2-CE1 3.69Å; H170-F233 AromaticContact CG-CE1 3.83Å
171	I	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	115.6	-175	-59.7	176	0	0	0	108.9	V109 M110 V112 L143 L146 I147 F150 I169 P173	V109-I171 CarbonylContact C-O 3.6Å; V109-I171 VanDerWaalsContact CA-O 3.31Å; V109-I171 WeakPolarHBondContact CA-O 3.28Å; M110-I171 PolarHBondContact N-O 2.87Å; M110-I171 PolarHBondContact O-N 3.41Å; V112-I171 HydrophobicContact CG2-CD1 4.31Å; L143-I171 HydrophobicContact CB-CG2 3.65Å; L143-I171 HydrophobicContact CD1-CG2 4.09Å; L143-I171 HydrophobicContact CD2-CG2 4.02Å; L143-I171 HydrophobicContact CG-CG2 4.1Å; L146-I171 HydrophobicContact CD2-CD1 4.17Å; L146-I171 HydrophobicContact CG-CD1 4.42Å; I147-I171 HydrophobicContact CD1-CB 4.19Å; I147-I171 HydrophobicContact CD1-CG2 3.89Å; I147-I171 HydrophobicContact CG1-CB 4.22Å; I147-I171 HydrophobicContact CG1-CD1 3.64Å; I147-I171 HydrophobicContact CG1-CG1 4.5Å; I147-I171 HydrophobicContact CG1-CG2 4.13Å; F150-I171 HydrophobicContact CE2-CD1 4.46Å; I169-I171 HydrophobicContact CG2-CD1 4.12Å; I169-I171 HydrophobicContact CG2-CG1 3.89Å; I171-P173 HydrophobicContact CG2-CG 4.31Å; I171-P173 WeakPolarHBondContact O-CD 3.44Å
172	L	98.9	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	96.2	170.6	175.6	57.6	0	0	0	108.3	I98 L107 W108 V109 Y128 V129 G130 T174 M175 V224 W227	I98-L172 HydrophobicContact CD1-CD2 3.84Å; L107-L172 HydrophobicContact CB-CD1 4.33Å; W108-L172 WeakPolarHBondContact O-CD1 3.27Å; V109-L172 HydrophobicContact CG2-CB 4.11Å; V109-L172 HydrophobicContact CG2-CD1 4.08Å; Y128-L172 PolarHBondContact O-N 3.1Å; V129-L172 WeakPolarHBondContact CA-O 3.31Å; V129-L172 HydrophobicContact CG1-CD2 3.98Å; V129-L172 HydrophobicContact CG1-CG 4.41Å; V129-L172 HydrophobicContact CG2-CB 4.39Å; V129-L172 HydrophobicContact CG2-CD2 4.34Å; G130-L172 PolarHBondContact N-O 3Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 WeakPolarHBondContact CD1-O 3.42Å; L172-T174 PolarHBondContact O-N 2.98Å; L172-M175 HydrophobicContact CD2-CB 4.09Å; L172-V224 HydrophobicContact CD2-CG2 4.13Å; L172-W227 HydrophobicContact CB-CH2 4.34Å; L172-W227 HydrophobicContact CB-CZ3 4.25Å; L172-W227 HydrophobicContact CD2-CZ3 4.13Å
173	P	98.9	Very high	98.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-67.3	-31.5	-173.6	-20.5	33.5	0	0	0	113.1	L78 L82 W108 G130 R140 L143 L144 I147 I171	L78-P173 HydrophobicContact CD1-CB 4.12Å; L82-P173 HydrophobicContact CD1-CG 4.46Å; W108-P173 WeakPolarHBondContact O-CD 3.4Å; G130-P173 CarbonylContact C-O 3.17Å; G130-P173 WeakPolarHBondContact CA-O 3.31Å; R140-P173 VanDerWaalsContact CA-O 3.29Å; R140-P173 WeakPolarHBondContact CA-O 3.19Å; R140-P173 WeakPolarHBondContact CB-O 3.3Å; L143-P173 HydrophobicContact CB-CB 4.28Å; L144-P173 HydrophobicContact CD2-CB 3.75Å; L144-P173 HydrophobicContact CD2-CG 3.64Å; L144-P173 HydrophobicContact CG-CB 4.32Å; I147-P173 HydrophobicContact CD1-CG 4.29Å; I171-P173 HydrophobicContact CG2-CG 4.31Å; I171-P173 WeakPolarHBondContact O-CD 3.44Å
174	T	98.8	Very high	98.6	Very high	2 Å²	2	23 Å²	23	1%	0.012	12%	0.124	C	C	.	.			trans	-140.8	118.5	178.8	-175.5	0	0	0	0	111.3	L78 G130 N131 R140 L172 P177	L78-T174 HydrophobicContact CD1-CG2 4.01Å; G130-T174 WeakPolarHBondContact O-CA 3.11Å; N131-T174 PolarHBondContact OD1-OG1 3.01Å; R140-T174 PolarHBondContact NH1-OG1 2.96Å; L172-T174 VanDerWaalsContact C-N 3.3Å; L172-T174 WeakPolarHBondContact CD1-O 3.42Å; L172-T174 PolarHBondContact O-N 2.98Å; T174-P177 HydrophobicContact CG2-CB 3.99Å
175	M	98.9	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-87.7	-25.3	170	179.6	179.9	173.3	0	0	111.9	L107 V129 G130 I132 L172 P177 L202 F206 E220 V224 M328	L107-M175 WeakPolarHBondContact CD2-O 3.29Å; V129-M175 HydrophobicContact CG1-CB 4Å; V129-M175 HydrophobicContact CG1-SD 4.29Å; G130-M175 PolarHBondContact O-N 2.71Å; I132-M175 HydrophobicContact CB-CB 4.29Å; I132-M175 HydrophobicContact CB-SD 4.03Å; I132-M175 HydrophobicContact CD1-CE 4.03Å; I132-M175 HydrophobicContact CD1-SD 3.5Å; I132-M175 WeakPolarHBondContact CD1-SD 3.37Å; I132-M175 HydrophobicContact CG1-CE 4.27Å; I132-M175 HydrophobicContact CG1-CG 4.36Å; I132-M175 HydrophobicContact CG1-SD 3.55Å; I132-M175 VanDerWaalsContact CG1-SD 3.55Å; L172-M175 HydrophobicContact CD2-CB 4.09Å; M175-P177 VanDerWaalsContact C-CD 3.43Å; M175-P177 WeakPolarHBondContact O-CD 3.48Å; M175-L202 HydrophobicContact CE-CB 4.36Å; M175-L202 HydrophobicContact CE-CD1 4.31Å; M175-L202 HydrophobicContact CG-CD1 4.4Å; M175-F206 HydrophobicContact CE-CE2 4.07Å; M175-F206 HydrophobicContact CE-CZ 3.88Å; M175-E220 HydrophobicContact CE-CB 4.35Å; M175-E220 HydrophobicContact CG-CB 4.47Å; M175-E220 WeakPolarHBondContact O-CG 3.32Å; M175-V224 HydrophobicContact CE-CB 4.08Å; M175-V224 HydrophobicContact CE-CG2 3.7Å; M175-V224 HydrophobicContact CG-CG2 4.09Å; M175-V224 HydrophobicContact SD-CG2 3.78Å; M175-M328 HydrophobicContact SD-SD 4.12Å
176	N	98.9	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.			trans	-122.4	68.2	179.2	-172.2	8.3	0	0	0	112.2	N131 I132 D178 G179 Y180 R194 Y195 L202	N131-N176 WeakPolarHBondContact O-CB 3.47Å; N131-N176 PolarHBondContact O-N 2.99Å; I132-N176 WeakPolarHBondContact O-CB 3.38Å; I132-N176 PolarHBondContact O-ND2 2.88Å; N176-D178 PolarHBondContact O-N 3.39Å; N176-G179 PolarHBondContact O-N 3Å; N176-G179 PolarHBondContact OD1-N 2.98Å; N176-Y180 PolarHBondContact O-N 3.49Å; N176-Y180 VanDerWaalsContact O-N 3.13Å; N176-R194 PolarHBondContact ND2-O 3.44Å; N176-Y195 VanDerWaalsContact ND2-C 3.32Å; N176-Y195 PolarHBondContact ND2-O 2.81Å; N176-L202 HydrophobicContact CB-CD1 3.83Å
177	P	98.9	Very high	98.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-23.6	-179.8	28.9	-37	0	0	0	112.6	R105 L107 T174 M175 A181	R105-P177 HydrophobicContact CB-CB 4.13Å; R105-P177 HydrophobicContact CB-CG 3.77Å; L107-P177 HydrophobicContact CD2-CG 3.87Å; T174-P177 HydrophobicContact CG2-CB 3.99Å; M175-P177 VanDerWaalsContact C-CD 3.43Å; M175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-A181 PolarHBondContact O-N 3.38Å; P177-A181 VanDerWaalsContact O-N 3.15Å
178	D	98.9	Very high	98.2	Very high	2 Å²	2	28 Å²	28	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-72.9	-43.7	177.7	-63.5	-3.7	0	0	0	112.4	S101 I102 Q103 R105 N176 Y180 A181 A197	S101-D178 VanDerWaalsContact CB-CG 3.45Å; S101-D178 VanDerWaalsContact CB-OD1 3.26Å; S101-D178 WeakPolarHBondContact CB-OD1 3.45Å; S101-D178 VanDerWaalsContact CB-OD2 3.29Å; S101-D178 WeakPolarHBondContact CB-OD2 3.39Å; S101-D178 PolarHBondContact OG-OD1 3.36Å; S101-D178 PolarHBondContact OG-OD2 3.36Å; S101-D178 VanDerWaalsContact OG-OD2 3.09Å; I102-D178 PolarHBondContact N-OD2 3.19Å; Q103-D178 WeakPolarHBondContact CB-OD2 3.22Å; Q103-D178 WeakPolarHBondContact CG-OD2 3.08Å; Q103-D178 PolarHBondContact N-OD2 2.92Å; R105-D178 IonicContact CZ-OD1 3.69Å; R105-D178 IonicContact NH1-OD1 3.23Å; R105-D178 PolarHBondContact NH1-OD1 2.81Å; N176-D178 PolarHBondContact O-N 3.39Å; D178-Y180 VanDerWaalsContact C-N 3.31Å; D178-A181 PolarHBondContact O-N 2.92Å; D178-A197 HydrophobicContact CB-CB 3.91Å
179	G	98.8	Very high	97.9	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-40.6	173.2	0	0	0	0	0	111.5	N176 A181 V182 S183 G193	N176-G179 PolarHBondContact O-N 3Å; N176-G179 PolarHBondContact OD1-N 2.98Å; G179-A181 VanDerWaalsContact C-N 3.34Å; G179-A181 PolarHBondContact O-N 3Å; G179-V182 VanDerWaalsContact O-CG2 3.29Å; G179-V182 WeakPolarHBondContact O-CG2 3.38Å; G179-V182 PolarHBondContact O-N 3.25Å; G179-S183 PolarHBondContact O-N 3.13Å; G179-S183 PolarHBondContact O-OG 3.01Å; G179-G193 CarbonylContact C-O 3.32Å; G179-G193 WeakPolarHBondContact CA-O 3.33Å; G179-G193 WeakPolarHBondContact O-CA 3.4Å
180	Y	98.8	Very high	97.2	Very high	21 Å²	21	32.8 Å²	32.8	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-45.3	177.4	173.5	-89.2	0	0	0	111.7	H73 G134 P137 N176 D178 V182 S183	H73-Y180 PolarHBondContact O-OH 2.89Å; G134-Y180 VanDerWaalsContact CA-N 3.34Å; G134-Y180 WeakPolarHBondContact O-CA 3.26Å; P137-Y180 HydrophobicContact CB-CD2 3.85Å; P137-Y180 HydrophobicContact CB-CE2 3.57Å; P137-Y180 HydrophobicContact CG-CE2 4.49Å; N176-Y180 PolarHBondContact O-N 3.49Å; N176-Y180 VanDerWaalsContact O-N 3.13Å; D178-Y180 VanDerWaalsContact C-N 3.31Å; Y180-V182 PolarHBondContact O-N 2.52Å; Y180-S183 VanDerWaalsContact O-CB 3.28Å; Y180-S183 WeakPolarHBondContact O-CB 3.48Å; Y180-S183 PolarHBondContact O-N 3.25Å
181	A	98.6	Very high	96.7	Very high	53 Å²	53	35.2 Å²	35.2	44%	0.438	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-20.6	-177.5	0	0	0	0	0	114.5	P177 D178 G179	P177-A181 PolarHBondContact O-N 3.38Å; P177-A181 VanDerWaalsContact O-N 3.15Å; D178-A181 PolarHBondContact O-N 2.92Å; G179-A181 VanDerWaalsContact C-N 3.34Å; G179-A181 PolarHBondContact O-N 3Å
182	V	98.4	Very high	96.4	Very high	76 Å²	76	42.6 Å²	42.6	46%	0.461	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	4.4	176.6	-57.1	0	0	0	0	113.1	G179 Y180	G179-V182 VanDerWaalsContact O-CG2 3.29Å; G179-V182 WeakPolarHBondContact O-CG2 3.38Å; G179-V182 PolarHBondContact O-N 3.25Å; Y180-V182 PolarHBondContact O-N 2.52Å
183	S	98.1	Very high	96.4	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.133	26%	0.262	C	S	.	.			trans	-82.9	157.6	176.3	-60	0	0	0	0	110.7	G134 N135 G179 Y180 Q192 G193	G134-S183 VanDerWaalsContact C-OG 3.25Å; G134-S183 PolarHBondContact O-OG 3.18Å; N135-S183 WeakPolarHBondContact CA-OG 3.5Å; N135-S183 WeakPolarHBondContact CB-OG 3.27Å; N135-S183 PolarHBondContact N-OG 2.92Å; N135-S183 VanDerWaalsContact N-OG 3.16Å; G179-S183 PolarHBondContact O-N 3.13Å; G179-S183 PolarHBondContact O-OG 3.01Å; Y180-S183 VanDerWaalsContact O-CB 3.28Å; Y180-S183 WeakPolarHBondContact O-CB 3.48Å; Y180-S183 PolarHBondContact O-N 3.25Å; S183-Q192 PolarHBondContact OG-O 2.92Å; S183-G193 WeakPolarHBondContact OG-CA 3.26Å
184	K	97.6	Very high	96.3	Very high	160 Å²	160	45.2 Å²	45.2	70%	0.696	27%	0.27	S	S	*	.			trans	-128.4	128.9	-175.7	-172	177.6	179	-179.9	0	112.3	T187 F350	K184-T187 VanDerWaalsContact O-CB 3.24Å; K184-T187 WeakPolarHBondContact O-CB 3.15Å; K184-T187 PolarHBondContact O-N 2.93Å; K184-T187 PolarHBondContact O-OG1 3.11Å; K184-F350 WeakPolarHBondContact O-CD1 3.39Å
185	E	97.7	Very high	96.3	Very high	94 Å²	94	50.5 Å²	50.5	44%	0.439	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	142.5	173.2	-172.1	-178.2	168.4	0	0	112.8	Y72 T187 F350 P352 A353	Y72-E185 HydrophobicContact CD2-CG 4.31Å; Y72-E185 HydrophobicContact CE2-CG 4Å; E185-T187 VanDerWaalsContact C-N 3.25Å; E185-T187 PolarHBondContact O-N 2.8Å; E185-F350 VanDerWaalsContact CA-CD2 3.44Å; E185-F350 VanDerWaalsContact CA-CE2 3.44Å; E185-F350 HydrophobicContact CB-CD2 4.05Å; E185-F350 HydrophobicContact CB-CE2 3.63Å; E185-F350 HydrophobicContact CB-CZ 4.14Å; E185-F350 HydrophobicContact CG-CD2 4.2Å; E185-F350 HydrophobicContact CG-CE2 3.97Å; E185-P352 VanDerWaalsContact OE1-CA 3.25Å; E185-P352 WeakPolarHBondContact OE1-CA 3.13Å; E185-A353 PolarHBondContact OE1-N 3.42Å
186	G	96.2	Very high	96.3	Very high	45 Å²	45	50.8 Å²	50.8	46%	0.464	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.3	-177.4	0	0	0	0	0	113.8	C188 F350	G186-C188 PolarHBondContact O-N 3.47Å; G186-F350 CarbonylContact C-O 3.55Å; G186-F350 VanDerWaalsContact CA-O 3.3Å; G186-F350 WeakPolarHBondContact CA-O 3.32Å; G186-F350 PolarHBondContact N-O 2.78Å
187	T	96.6	Very high	96.3	Very high	41 Å²	41	52.9 Å²	52.9	25%	0.252	31%	0.31	S	S	.	.			trans	-85.9	88.6	177	-47.2	0	0	0	0	110.1	K184 E185 F350	K184-T187 VanDerWaalsContact O-CB 3.24Å; K184-T187 WeakPolarHBondContact O-CB 3.15Å; K184-T187 PolarHBondContact O-N 2.93Å; K184-T187 PolarHBondContact O-OG1 3.11Å; E185-T187 VanDerWaalsContact C-N 3.25Å; E185-T187 PolarHBondContact O-N 2.8Å; T187-F350 PolarHBondContact N-O 3.34Å; T187-F350 WeakPolarHBondContact O-CB 3.48Å; T187-F350 PolarHBondContact O-N 2.87Å
188	C	94.5	Very high	96.2	Very high	47 Å²	47	58.7 Å²	58.7	32%	0.318	33%	0.331	S	S	.	.			trans	-74.5	-33.6	-178.9	-67	0	0	0	0	114.2	G186 C348 K349	G186-C188 PolarHBondContact O-N 3.47Å; C188-C348 WeakPolarHBondContact CA-SG 3.38Å; C188-C348 HydrophobicContact CB-CB 3.73Å; C188-C348 WeakPolarHBondContact CB-SG 3.49Å; C188-C348 WeakPolarHBondContact SG-CB 3.43Å; C188-C348 CovalentContact SG-SG 2.03Å; C188-C348 PolarHBondContact SG-SG 3.2Å; C188-K349 WeakPolarHBondContact O-CB 3.39Å; C188-K349 WeakPolarHBondContact O-CG 3.42Å; C188-K349 PolarHBondContact O-N 3.01Å; C188-K349 VanDerWaalsContact O-N 3.1Å
189	D	91.2	Very high	96.2	Very high	96 Å²	96	61 Å²	61	51%	0.513	36%	0.356	S	S	.	.	S	Bend	trans	-119	120.5	-174	-70.1	-41	0	0	0	110.6	G191 K305	D189-G191 PolarHBondContact O-N 3.35Å; D189-K305 VanDerWaalsContact OD1-CE 3.28Å; D189-K305 WeakPolarHBondContact OD1-CE 3.44Å; D189-K305 IonicContact OD1-NZ 3.76Å; D189-K305 PolarHBondContact OD1-NZ 3.26Å; D189-K305 IonicContact OD2-NZ 3.62Å; D189-K305 PolarHBondContact OD2-NZ 2.9Å
190	G	85.9	Confident	96.1	Very high	30 Å²	30	63.8 Å²	63.8	31%	0.309	37%	0.368	S	S	.	.	S	Bend	trans	61.3	-134.1	-179.4	0	0	0	0	0	113	N135	N135-G190 PolarHBondContact ND2-O 2.95Å
191	G	87.3	Confident	96.1	Very high	51 Å²	51	63.7 Å²	63.7	53%	0.526	37%	0.369	S	S	.	.			trans	99.6	172.3	179.5	0	0	0	0	0	115.3	D189	D189-G191 PolarHBondContact O-N 3.35Å
192	Q	93.8	Very high	96.1	Very high	156 Å²	156	61.1 Å²	61.1	73%	0.729	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	155.3	171.4	-67.4	-170.2	-2.6	0	0	110.6	N135 S183	N135-Q192 WeakPolarHBondContact CB-O 3.38Å; S183-Q192 PolarHBondContact OG-O 2.92Å
193	G	97.1	Very high	96.1	Very high	10 Å²	10	57.8 Å²	57.8	10%	0.103	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	0.1	171.7	0	0	0	0	0	116.6	G134 N135 G179 S183	G134-G193 CarbonylContact C-O 3.57Å; G134-G193 WeakPolarHBondContact CA-O 3.5Å; G134-G193 PolarHBondContact N-O 2.64Å; N135-G193 PolarHBondContact N-O 3.47Å; G179-G193 CarbonylContact C-O 3.32Å; G179-G193 WeakPolarHBondContact CA-O 3.33Å; G179-G193 WeakPolarHBondContact O-CA 3.4Å; S183-G193 WeakPolarHBondContact OG-CA 3.26Å
194	R	98.3	Very high	96.1	Very high	45 Å²	45	59 Å²	59	17%	0.17	33%	0.329	C	S	.	.	S	Bend	trans	-59	-52.1	169.9	-177.6	-176.3	171.3	83.4	-0.9	112.3	H133 N135 E136 N176 D201	H133-R194 WeakPolarHBondContact CA-O 3.16Å; H133-R194 HydrophobicContact CB-CG 4.02Å; H133-R194 PolarHBondContact CE1-NH1 2.81Å; H133-R194 PolarHBondContact CE1-NH2 3Å; H133-R194 PolarHBondContact ND1-NH1 2.9Å; H133-R194 VanDerWaalsContact ND1-NH1 3.15Å; H133-R194 PolarHBondContact NE2-NH2 3.34Å; H133-R194 VanDerWaalsContact NE2-NH2 3.13Å; N135-R194 WeakPolarHBondContact OD1-CA 3.26Å; N135-R194 WeakPolarHBondContact OD1-CB 3.29Å; N135-R194 PolarHBondContact OD1-N 3.44Å; E136-R194 IonicContact OE1-NH1 2.78Å; E136-R194 PolarHBondContact OE1-NH1 3.36Å; E136-R194 VanDerWaalsContact OE1-NH1 3.08Å; N176-R194 PolarHBondContact ND2-O 3.44Å; R194-D201 IonicContact CZ-OD2 3.6Å; R194-D201 IonicContact NE-OD2 3.94Å; R194-D201 PolarHBondContact NE-OD2 2.78Å; R194-D201 VanDerWaalsContact NE-OD2 3.11Å; R194-D201 IonicContact NH2-OD2 2.95Å; R194-D201 PolarHBondContact NH2-OD2 3.45Å
195	Y	98.6	Very high	96.1	Very high	112 Å²	112	51.7 Å²	51.7	44%	0.439	30%	0.298	S	S	.	.	S	Bend	trans	-77.2	162.5	-176.8	-55.1	-75.4	0	0	0	111.6	N176 F200 D201	N176-Y195 VanDerWaalsContact ND2-C 3.32Å; N176-Y195 PolarHBondContact ND2-O 2.81Å; Y195-F200 WeakPolarHBondContact CA-O 3.36Å; Y195-D201 HydrophobicContact CD1-CB 3.8Å; Y195-D201 HydrophobicContact CE1-CB 3.81Å
196	N	98.6	Very high	96.1	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.032	28%	0.277	C	S	.	.			trans	-70.1	176.4	168.7	82.3	-18.4	0	0	0	111.2	R198 G199 F200 L202 Q218 E220	N196-R198 PolarHBondContact O-N 2.86Å; N196-R198 PolarHBondContact OD1-N 2.96Å; N196-R198 VanDerWaalsContact OD1-N 3.1Å; N196-G199 PolarHBondContact O-N 3.2Å; N196-G199 PolarHBondContact OD1-N 3.01Å; N196-F200 PolarHBondContact N-O 3.36Å; N196-F200 PolarHBondContact OD1-N 2.99Å; N196-L202 HydrophobicContact CB-CD1 4.25Å; N196-L202 HydrophobicContact CB-CD2 3.96Å; N196-L202 HydrophobicContact CB-CG 4.09Å; N196-Q218 WeakPolarHBondContact ND2-CG 3.46Å; N196-Q218 PolarHBondContact ND2-OE1 3.39Å; N196-E220 PolarHBondContact ND2-OE2 2.87Å
197	A	98.3	Very high	96.2	Very high	45 Å²	45	46.4 Å²	46.4	37%	0.372	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.1	-178	0	0	0	0	0	115.1	I102 Q103 D178	I102-A197 HydrophobicContact CB-CB 3.92Å; I102-A197 HydrophobicContact CG2-CB 3.69Å; Q103-A197 HydrophobicContact CG-CB 3.96Å; D178-A197 HydrophobicContact CB-CB 3.91Å
198	R	97.9	Very high	96	Very high	122 Å²	122	45.1 Å²	45.1	46%	0.46	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	5.2	171.3	-74.3	-173.8	176.5	150.1	8.2	113.7	I102 N196 F200	I102-R198 VanDerWaalsContact CD1-CD 3.47Å; I102-R198 HydrophobicContact CD1-CG 3.75Å; I102-R198 VanDerWaalsContact CD1-NE 3.31Å; I102-R198 HydrophobicContact CG1-CG 4.09Å; I102-R198 HydrophobicContact CG2-CG 4.2Å; N196-R198 PolarHBondContact O-N 2.86Å; N196-R198 PolarHBondContact OD1-N 2.96Å; N196-R198 VanDerWaalsContact OD1-N 3.1Å; R198-F200 HydrophobicContact CB-CD2 3.84Å; R198-F200 HydrophobicContact CB-CE2 4.24Å; R198-F200 WeakPolarHBondContact O-CD2 3.44Å
199	G	97.6	Very high	95.9	Very high	52 Å²	52	46.7 Å²	46.7	54%	0.536	25%	0.254	S	S	.	.	S	Bend	trans	77	18.4	-180	0	0	0	0	0	114.4	N196	N196-G199 PolarHBondContact O-N 3.2Å; N196-G199 PolarHBondContact OD1-N 3.01Å
200	F	98.3	Very high	95.9	Very high	59 Å²	59	44.3 Å²	44.3	26%	0.259	24%	0.24	S	C	.	.			trans	-93.2	139.6	175.5	-75.3	-100.2	0	0	0	111.3	Y195 N196 R198 L202 R216 Q218	Y195-F200 WeakPolarHBondContact CA-O 3.36Å; N196-F200 PolarHBondContact N-O 3.36Å; N196-F200 PolarHBondContact OD1-N 2.99Å; R198-F200 HydrophobicContact CB-CD2 3.84Å; R198-F200 HydrophobicContact CB-CE2 4.24Å; R198-F200 WeakPolarHBondContact O-CD2 3.44Å; F200-L202 PolarHBondContact O-N 3.03Å; F200-R216 HydrophobicContact CE1-CB 4.35Å; F200-R216 HydrophobicContact CZ-CB 4.25Å; F200-Q218 HydrophobicContact CB-CG 3.65Å; F200-Q218 HydrophobicContact CD1-CG 4.44Å; F200-Q218 VanDerWaalsContact CD2-CD 3.49Å; F200-Q218 HydrophobicContact CD2-CG 4.35Å; F200-Q218 VanDerWaalsContact CD2-NE2 3.28Å; F200-Q218 HydrophobicContact CG-CG 3.91Å
201	D	98.2	Very high	96	Very high	18 Å²	18	45.4 Å²	45.4	10%	0.096	24%	0.236	C	C	.	.			trans	-80.3	110.5	169.6	-170.3	-41	0	0	0	107.5	H133 R194 Y195 N203 R204 N205	H133-D201 IonicContact CD2-OD1 3.49Å; H133-D201 IonicContact NE2-OD1 3.43Å; H133-D201 PolarHBondContact NE2-OD1 3.01Å; H133-D201 IonicContact NE2-OD2 3.61Å; R194-D201 IonicContact CZ-OD2 3.6Å; R194-D201 IonicContact NE-OD2 3.94Å; R194-D201 PolarHBondContact NE-OD2 2.78Å; R194-D201 VanDerWaalsContact NE-OD2 3.11Å; R194-D201 IonicContact NH2-OD2 2.95Å; R194-D201 PolarHBondContact NH2-OD2 3.45Å; Y195-D201 HydrophobicContact CD1-CB 3.8Å; Y195-D201 HydrophobicContact CE1-CB 3.81Å; D201-N203 PolarHBondContact O-N 3.35Å; D201-N203 WeakPolarHBondContact OD1-CA 3.33Å; D201-N203 PolarHBondContact OD1-N 2.87Å; D201-R204 HydrophobicContact CB-CB 4.1Å; D201-R204 HydrophobicContact CB-CG 3.89Å; D201-R204 CarbonylContact O-C 3.59Å; D201-R204 PolarHBondContact O-N 2.99Å; D201-R204 PolarHBondContact OD1-N 3.14Å; D201-N205 PolarHBondContact O-N 3.07Å
202	L	98.6	Very high	96	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-64.3	-32	-177.4	-63.5	-178.4	0	0	0	111.5	I132 M175 N176 N196 F200 R204 N205 F206 Q218 E220	I132-L202 HydrophobicContact CD1-CB 4Å; I132-L202 HydrophobicContact CG1-CB 3.59Å; I132-L202 HydrophobicContact CG1-CD1 4.35Å; M175-L202 HydrophobicContact CE-CB 4.36Å; M175-L202 HydrophobicContact CE-CD1 4.31Å; M175-L202 HydrophobicContact CG-CD1 4.4Å; N176-L202 HydrophobicContact CB-CD1 3.83Å; N196-L202 HydrophobicContact CB-CD1 4.25Å; N196-L202 HydrophobicContact CB-CD2 3.96Å; N196-L202 HydrophobicContact CB-CG 4.09Å; F200-L202 PolarHBondContact O-N 3.03Å; L202-R204 PolarHBondContact O-N 2.97Å; L202-N205 PolarHBondContact O-N 3.23Å; L202-F206 WeakPolarHBondContact O-CD2 3.46Å; L202-F206 WeakPolarHBondContact O-CE2 3.5Å; L202-Q218 HydrophobicContact CD2-CB 3.73Å; L202-Q218 HydrophobicContact CD2-CG 3.99Å; L202-E220 HydrophobicContact CD1-CB 3.7Å; L202-E220 HydrophobicContact CD1-CG 4.08Å; L202-E220 HydrophobicContact CD2-CB 4.08Å
203	N	98.2	Very high	95.8	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.027	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-83.8	21.4	173.5	-158.1	26.5	0	0	0	112.7	I132 D201 G326 G327 M328	I132-N203 HydrophobicContact CD1-CB 3.93Å; D201-N203 PolarHBondContact O-N 3.35Å; D201-N203 WeakPolarHBondContact OD1-CA 3.33Å; D201-N203 PolarHBondContact OD1-N 2.87Å; N203-G326 CarbonylContact C-O 3.52Å; N203-G327 WeakPolarHBondContact OD1-CA 3.28Å; N203-M328 PolarHBondContact OD1-N 2.9Å
204	R	97.3	Very high	95.5	Very high	45 Å²	45	50.4 Å²	50.4	17%	0.17	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-133.5	12.2	164.6	-55.5	-71.3	-175.3	-74.9	2.5	111.7	D201 L202 N213 K215 L324 T325 G326	D201-R204 HydrophobicContact CB-CB 4.1Å; D201-R204 HydrophobicContact CB-CG 3.89Å; D201-R204 CarbonylContact O-C 3.59Å; D201-R204 PolarHBondContact O-N 2.99Å; D201-R204 PolarHBondContact OD1-N 3.14Å; L202-R204 PolarHBondContact O-N 2.97Å; R204-N213 PolarHBondContact O-ND2 2.99Å; R204-K215 WeakPolarHBondContact O-CD 3.35Å; R204-K215 PolarHBondContact O-NZ 3.41Å; R204-L324 VanDerWaalsContact CZ-CD1 3.42Å; R204-L324 VanDerWaalsContact NH1-CG 3.32Å; R204-T325 WeakPolarHBondContact CA-O 3.29Å; R204-T325 VanDerWaalsContact CD-O 3.23Å; R204-T325 WeakPolarHBondContact CD-O 3.39Å; R204-G326 CarbonylContact C-O 3.57Å; R204-G326 VanDerWaalsContact CA-O 3.23Å; R204-G326 WeakPolarHBondContact CA-O 3.22Å
205	N	97.9	Very high	95.2	Very high	7 Å²	7	53 Å²	53	4%	0.037	26%	0.26	C	S	.	.			trans	-107.1	-5.8	-170.9	-163.3	-120.5	0	0	0	113.9	D201 L202 R216 Q218 T221 G326	D201-N205 PolarHBondContact O-N 3.07Å; L202-N205 PolarHBondContact O-N 3.23Å; N205-R216 PolarHBondContact ND2-O 2.96Å; N205-Q218 PolarHBondContact OD1-N 2.82Å; N205-T221 HydrophobicContact CB-CG2 4.19Å; N205-T221 WeakPolarHBondContact OD1-CB 3.43Å; N205-T221 PolarHBondContact OD1-OG1 2.98Å; N205-G326 PolarHBondContact N-O 3.33Å
206	F	98.2	Very high	95.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-80.1	155.6	176.8	-70.4	-98.6	0	0	0	111.6	I132 M175 L202 N213 T221 V224 K225 G326 M328 Y331	I132-F206 HydrophobicContact CD1-CE2 4.34Å; M175-F206 HydrophobicContact CE-CE2 4.07Å; M175-F206 HydrophobicContact CE-CZ 3.88Å; L202-F206 WeakPolarHBondContact O-CD2 3.46Å; L202-F206 WeakPolarHBondContact O-CE2 3.5Å; F206-N213 PolarHBondContact O-ND2 3.44Å; F206-T221 HydrophobicContact CD1-CG2 4.02Å; F206-T221 HydrophobicContact CD2-CG2 3.96Å; F206-T221 HydrophobicContact CE1-CG2 3.95Å; F206-T221 HydrophobicContact CE2-CG2 3.87Å; F206-T221 HydrophobicContact CG-CG2 4.03Å; F206-T221 HydrophobicContact CZ-CG2 3.88Å; F206-V224 HydrophobicContact CE1-CG1 4.11Å; F206-V224 HydrophobicContact CZ-CB 4.29Å; F206-V224 HydrophobicContact CZ-CG1 3.98Å; F206-K225 HydrophobicContact CD1-CD 4.36Å; F206-K225 HydrophobicContact CD1-CG 3.93Å; F206-K225 HydrophobicContact CE1-CG 3.85Å; F206-G326 WeakPolarHBondContact CB-O 3.44Å; F206-G326 PolarHBondContact N-O 3.35Å; F206-G326 WeakPolarHBondContact O-CA 3.39Å; F206-M328 HydrophobicContact CD2-CB 3.9Å; F206-M328 HydrophobicContact CD2-CG 4.47Å; F206-M328 HydrophobicContact CE1-CB 4.38Å; F206-M328 HydrophobicContact CE1-CG 3.94Å; F206-M328 HydrophobicContact CE2-CB 3.59Å; F206-M328 HydrophobicContact CE2-CG 3.86Å; F206-M328 HydrophobicContact CE2-SD 4.3Å; F206-M328 HydrophobicContact CG-CB 4.43Å; F206-M328 HydrophobicContact CZ-CB 3.84Å; F206-M328 HydrophobicContact CZ-CG 3.55Å; F206-M328 HydrophobicContact CZ-SD 3.87Å; F206-Y331 HydrophobicContact CB-CG 4.3Å; F206-Y331 AromaticContact CD1-CD1 3.63Å; F206-Y331 HydrophobicContact CD1-CD1 3.63Å; F206-Y331 HydrophobicContact CD1-CD2 4.44Å; F206-Y331 HydrophobicContact CD1-CE1 4.19Å; F206-Y331 AromaticContact CD1-CG 3.76Å; F206-Y331 HydrophobicContact CD1-CG 3.76Å; F206-Y331 HydrophobicContact CE1-CD1 4.07Å; F206-Y331 HydrophobicContact CE1-CE1 4.48Å; F206-Y331 HydrophobicContact CG-CG 4.44Å
207	P	97	Very high	95	Very high	27 Å²	27	56.6 Å²	56.6	18%	0.175	28%	0.281	C	S	.	.			trans	-52.4	140.5	166.1	-25.4	35.5	0	0	0	111.1	Y331 W335 P494	P207-Y331 HydrophobicContact CB-CD2 4.16Å; P207-Y331 HydrophobicContact CB-CE2 4.28Å; P207-Y331 HydrophobicContact CG-CD2 4.07Å; P207-Y331 HydrophobicContact CG-CE2 3.83Å; P207-W335 HydrophobicContact CB-CH2 3.85Å; P207-W335 HydrophobicContact CB-CZ2 3.72Å; P207-P494 HydrophobicContact CG-CG 4.26Å
208	D	94.2	Very high	95	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.08	26%	0.264	C	S	.	.			trans	-111.2	140.9	-178.5	-177.3	-82.8	0	0	0	110.5	F210 K211 N213 N252 T325 G326	D208-F210 PolarHBondContact OD1-N 2.89Å; D208-K211 VanDerWaalsContact CB-O 3.31Å; D208-K211 WeakPolarHBondContact CB-O 3.49Å; D208-K211 PolarHBondContact OD1-N 3.29Å; D208-N213 HydrophobicContact CB-CB 4.31Å; D208-N252 VanDerWaalsContact CG-ND2 3.28Å; D208-N252 PolarHBondContact OD1-ND2 2.97Å; D208-N252 VanDerWaalsContact OD1-ND2 3.08Å; D208-N252 PolarHBondContact OD2-ND2 3.11Å; D208-T325 HydrophobicContact CB-CG2 3.86Å; D208-T325 VanDerWaalsContact OD2-CA 3.31Å; D208-T325 WeakPolarHBondContact OD2-CA 3.36Å; D208-G326 PolarHBondContact OD2-N 3.24Å
209	Y	92.2	Very high	95.1	Very high	79 Å²	79	50.4 Å²	50.4	31%	0.31	25%	0.253	S	S	.	.	S	Bend	trans	-74.9	-31.9	-174.4	177.9	-124.5	0	0	0	112.7	Y250 V334 P491	Y209-Y250 HydrophobicContact CD1-CE1 4.39Å; Y209-V334 HydrophobicContact CD1-CG2 4.28Å; Y209-V334 HydrophobicContact CD2-CG1 3.48Å; Y209-V334 VanDerWaalsContact CD2-CG1 3.48Å; Y209-V334 HydrophobicContact CD2-CG2 4.33Å; Y209-V334 HydrophobicContact CE2-CG1 4.01Å; Y209-V334 HydrophobicContact CG-CG1 3.95Å; Y209-V334 HydrophobicContact CG-CG2 3.98Å; Y209-P491 HydrophobicContact CD2-CG 4.35Å
210	F	89.9	Confident	95.1	Very high	46 Å²	46	47.9 Å²	47.9	20%	0.202	23%	0.227	C	C	.	.	S	Bend	trans	-100.1	-28.1	-173.2	-61.3	-72.9	0	0	0	113.3	D208 Y250 N252 T253 P254	D208-F210 PolarHBondContact OD1-N 2.89Å; F210-Y250 HydrophobicContact CE2-CD1 4.11Å; F210-Y250 HydrophobicContact CE2-CD2 4.11Å; F210-Y250 AromaticContact CE2-CG 3.8Å; F210-Y250 HydrophobicContact CE2-CG 3.8Å; F210-Y250 HydrophobicContact CZ-CD1 4.35Å; F210-Y250 AromaticContact CZ-CD2 3.67Å; F210-Y250 HydrophobicContact CZ-CD2 3.67Å; F210-Y250 AromaticContact CZ-CE2 3.99Å; F210-Y250 HydrophobicContact CZ-CE2 3.99Å; F210-Y250 AromaticContact CZ-CG 3.87Å; F210-Y250 HydrophobicContact CZ-CG 3.87Å; F210-N252 HydrophobicContact CD2-CB 3.84Å; F210-N252 HydrophobicContact CE2-CB 4.38Å; F210-N252 VanDerWaalsContact CE2-O 3.24Å; F210-N252 WeakPolarHBondContact CE2-O 3.28Å; F210-T253 WeakPolarHBondContact CB-O 3.38Å; F210-P254 HydrophobicContact CD1-CB 3.91Å; F210-P254 HydrophobicContact CD1-CG 3.6Å; F210-P254 HydrophobicContact CE1-CB 4.32Å; F210-P254 HydrophobicContact CE1-CG 3.51Å; F210-P254 HydrophobicContact CZ-CG 4.39Å
211	K	88.2	Confident	95.2	Very high	54 Å²	54	45.1 Å²	45.1	24%	0.235	22%	0.215	C	C	.	.	S	Bend	trans	-131.5	148.7	-174.4	-55.2	-174.1	-166.5	-173.8	0	109.9	D208 N213 N255 T325	D208-K211 VanDerWaalsContact CB-O 3.31Å; D208-K211 WeakPolarHBondContact CB-O 3.49Å; D208-K211 PolarHBondContact OD1-N 3.29Å; K211-N213 PolarHBondContact O-N 2.67Å; K211-N255 WeakPolarHBondContact CE-OD1 3.48Å; K211-T325 HydrophobicContact CB-CG2 4.27Å
212	Q	87.6	Confident	95.2	Very high	161 Å²	161	47.1 Å²	47.1	75%	0.752	23%	0.226	S	C	*	.			trans	-71.6	121.2	172.4	-166.1	179.5	9.5	0	0	109.5	N214	Q212-N214 VanDerWaalsContact CG-OD1 3.27Å; Q212-N214 WeakPolarHBondContact CG-OD1 3.41Å; Q212-N214 PolarHBondContact NE2-OD1 2.95Å
213	N	89.9	Confident	95.2	Very high	35 Å²	35	47.9 Å²	47.9	19%	0.187	23%	0.231	C	C	.	.			trans	-97.9	98.8	173.5	-168.7	5.4	0	0	0	110.4	R204 F206 D208 K211 K215	R204-N213 PolarHBondContact O-ND2 2.99Å; F206-N213 PolarHBondContact O-ND2 3.44Å; D208-N213 HydrophobicContact CB-CB 4.31Å; K211-N213 PolarHBondContact O-N 2.67Å; N213-K215 VanDerWaalsContact C-N 3.29Å; N213-K215 PolarHBondContact O-N 2.93Å; N213-K215 WeakPolarHBondContact OD1-CG 3.42Å; N213-K215 PolarHBondContact OD1-N 2.82Å
214	N	91	Very high	95.2	Very high	125 Å²	125	47.6 Å²	47.6	67%	0.668	23%	0.23	S	C	*	.			trans	-90.1	15.5	-177.3	-67	-38	0	0	0	113.6	Q212	Q212-N214 VanDerWaalsContact CG-OD1 3.27Å; Q212-N214 WeakPolarHBondContact CG-OD1 3.41Å; Q212-N214 PolarHBondContact NE2-OD1 2.95Å
215	K	92.3	Very high	95.3	Very high	99 Å²	99	47.4 Å²	47.4	43%	0.43	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-67.9	145.1	176.9	-69.9	-179	-171.7	177.1	0	110.5	R204 N213 G217	R204-K215 WeakPolarHBondContact O-CD 3.35Å; R204-K215 PolarHBondContact O-NZ 3.41Å; N213-K215 VanDerWaalsContact C-N 3.29Å; N213-K215 PolarHBondContact O-N 2.93Å; N213-K215 WeakPolarHBondContact OD1-CG 3.42Å; N213-K215 PolarHBondContact OD1-N 2.82Å; K215-G217 PolarHBondContact O-N 3.07Å
216	R	95.9	Very high	95.3	Very high	168 Å²	168	48.2 Å²	48.2	63%	0.634	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-60.8	128	173.3	-176.4	-179.5	178.5	174.8	4.1	109.9	F200 N205 Q218	F200-R216 HydrophobicContact CE1-CB 4.35Å; F200-R216 HydrophobicContact CZ-CB 4.25Å; N205-R216 PolarHBondContact ND2-O 2.96Å; R216-Q218 PolarHBondContact O-NE2 3.2Å
217	G	96.8	Very high	95.3	Very high	27 Å²	27	48.5 Å²	48.5	28%	0.278	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-56.7	139.1	172.7	0	0	0	0	0	111.9	K215	K215-G217 PolarHBondContact O-N 3.07Å
218	Q	98.6	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.			trans	-104	147.4	174.2	-59.4	-51.9	-61.4	0	0	109.8	N196 F200 L202 N205 R216 E220 T221 D222	N196-Q218 WeakPolarHBondContact ND2-CG 3.46Å; N196-Q218 PolarHBondContact ND2-OE1 3.39Å; F200-Q218 HydrophobicContact CB-CG 3.65Å; F200-Q218 HydrophobicContact CD1-CG 4.44Å; F200-Q218 VanDerWaalsContact CD2-CD 3.49Å; F200-Q218 HydrophobicContact CD2-CG 4.35Å; F200-Q218 VanDerWaalsContact CD2-NE2 3.28Å; F200-Q218 HydrophobicContact CG-CG 3.91Å; L202-Q218 HydrophobicContact CD2-CB 3.73Å; L202-Q218 HydrophobicContact CD2-CG 3.99Å; N205-Q218 PolarHBondContact OD1-N 2.82Å; R216-Q218 PolarHBondContact O-NE2 3.2Å; Q218-E220 PolarHBondContact O-N 2.89Å; Q218-T221 PolarHBondContact O-N 2.81Å; Q218-D222 WeakPolarHBondContact O-CB 3.47Å; Q218-D222 VanDerWaalsContact O-CG 3.3Å; Q218-D222 PolarHBondContact O-N 3.17Å
219	P	98.7	Very high	95.4	Very high	36 Å²	36	49.7 Å²	49.7	23%	0.234	25%	0.245	C	C	.	.	H	α-helix	trans	-59.4	-34.6	-177.3	26.4	-35.2	0	0	0	112.2	I102 D222 S223	I102-P219 VanDerWaalsContact CD1-CD 3.42Å; I102-P219 HydrophobicContact CD1-CG 3.39Å; I102-P219 HydrophobicContact CG1-CG 3.67Å; P219-D222 PolarHBondContact O-N 2.69Å; P219-S223 VanDerWaalsContact O-CB 3.29Å; P219-S223 WeakPolarHBondContact O-CB 3.5Å; P219-S223 PolarHBondContact O-N 3.14Å; P219-S223 PolarHBondContact O-OG 3.26Å
220	E	98.9	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-46.5	175.6	-57.2	84.7	178	0	0	111.7	S101 I102 L107 M175 N196 L202 Q218 V224	S101-E220 WeakPolarHBondContact CA-OE1 3.31Å; S101-E220 WeakPolarHBondContact CB-OE1 3.45Å; I102-E220 PolarHBondContact N-OE1 2.65Å; L107-E220 HydrophobicContact CD1-CB 4.26Å; L107-E220 HydrophobicContact CD1-CG 4.36Å; M175-E220 HydrophobicContact CE-CB 4.35Å; M175-E220 HydrophobicContact CG-CB 4.47Å; M175-E220 WeakPolarHBondContact O-CG 3.32Å; N196-E220 PolarHBondContact ND2-OE2 2.87Å; L202-E220 HydrophobicContact CD1-CB 3.7Å; L202-E220 HydrophobicContact CD1-CG 4.08Å; L202-E220 HydrophobicContact CD2-CB 4.08Å; Q218-E220 PolarHBondContact O-N 2.89Å; E220-V224 WeakPolarHBondContact O-CG2 3.37Å; E220-V224 PolarHBondContact O-N 2.92Å; E220-V224 VanDerWaalsContact O-N 3.13Å
221	T	98.8	Very high	95.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-41.7	176.4	-60.1	0	0	0	0	111.7	N205 F206 Q218 V224 K225	N205-T221 HydrophobicContact CB-CG2 4.19Å; N205-T221 WeakPolarHBondContact OD1-CB 3.43Å; N205-T221 PolarHBondContact OD1-OG1 2.98Å; F206-T221 HydrophobicContact CD1-CG2 4.02Å; F206-T221 HydrophobicContact CD2-CG2 3.96Å; F206-T221 HydrophobicContact CE1-CG2 3.95Å; F206-T221 HydrophobicContact CE2-CG2 3.87Å; F206-T221 HydrophobicContact CG-CG2 4.03Å; F206-T221 HydrophobicContact CZ-CG2 3.88Å; Q218-T221 PolarHBondContact O-N 2.81Å; T221-V224 PolarHBondContact O-N 3.18Å; T221-K225 HydrophobicContact CG2-CD 4.3Å; T221-K225 WeakPolarHBondContact O-CG 3.34Å; T221-K225 PolarHBondContact O-N 2.86Å
222	D	98.7	Very high	96.1	Very high	60 Å²	60	52 Å²	52	32%	0.321	26%	0.259	S	S	.	.	H	α-helix	trans	-65.8	-41.7	179.5	-66.9	-28.8	0	0	0	111.5	Q218 P219 V224 K225 D226	Q218-D222 WeakPolarHBondContact O-CB 3.47Å; Q218-D222 VanDerWaalsContact O-CG 3.3Å; Q218-D222 PolarHBondContact O-N 3.17Å; P219-D222 PolarHBondContact O-N 2.69Å; D222-V224 PolarHBondContact O-N 2.86Å; D222-K225 PolarHBondContact O-N 2.81Å; D222-K225 WeakPolarHBondContact OD1-CE 3.17Å; D222-K225 IonicContact OD1-NZ 3.91Å; D222-K225 PolarHBondContact OD1-NZ 3.2Å; D222-D226 WeakPolarHBondContact O-CB 3.39Å; D222-D226 PolarHBondContact O-N 2.79Å
223	S	98.8	Very high	96.6	Very high	16 Å²	16	44.7 Å²	44.7	11%	0.112	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-43.3	172.3	-83.4	0	0	0	0	112.9	I98 G99 P219 W227	I98-S223 VanDerWaalsContact O-CB 3.23Å; I98-S223 WeakPolarHBondContact O-CB 3.33Å; I98-S223 PolarHBondContact O-OG 3.43Å; G99-S223 WeakPolarHBondContact CA-OG 3.32Å; P219-S223 VanDerWaalsContact O-CB 3.29Å; P219-S223 WeakPolarHBondContact O-CB 3.5Å; P219-S223 PolarHBondContact O-N 3.14Å; P219-S223 PolarHBondContact O-OG 3.26Å; S223-W227 VanDerWaalsContact O-CB 3.27Å; S223-W227 WeakPolarHBondContact O-CB 3.49Å; S223-W227 PolarHBondContact O-N 3.36Å
224	V	98.8	Very high	97	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-69.8	-40.4	178.1	170.4	0	0	0	0	111.8	I98 L172 M175 F206 E220 T221 D222 D226 W227 I228 M328	I98-V224 HydrophobicContact CD1-CG2 3.77Å; L172-V224 HydrophobicContact CD2-CG2 4.13Å; M175-V224 HydrophobicContact CE-CB 4.08Å; M175-V224 HydrophobicContact CE-CG2 3.7Å; M175-V224 HydrophobicContact CG-CG2 4.09Å; M175-V224 HydrophobicContact SD-CG2 3.78Å; F206-V224 HydrophobicContact CE1-CG1 4.11Å; F206-V224 HydrophobicContact CZ-CB 4.29Å; F206-V224 HydrophobicContact CZ-CG1 3.98Å; E220-V224 WeakPolarHBondContact O-CG2 3.37Å; E220-V224 PolarHBondContact O-N 2.92Å; E220-V224 VanDerWaalsContact O-N 3.13Å; T221-V224 PolarHBondContact O-N 3.18Å; D222-V224 PolarHBondContact O-N 2.86Å; V224-D226 PolarHBondContact O-N 3.42Å; V224-W227 PolarHBondContact O-N 2.9Å; V224-I228 HydrophobicContact CG1-CD1 3.61Å; V224-I228 HydrophobicContact CG1-CG1 4.27Å; V224-I228 WeakPolarHBondContact O-CD1 3.39Å; V224-I228 VanDerWaalsContact O-CG1 3.24Å; V224-I228 WeakPolarHBondContact O-CG1 3.36Å; V224-I228 PolarHBondContact O-N 2.85Å; V224-M328 HydrophobicContact CG1-SD 3.92Å
225	K	98.6	Very high	97.3	Very high	40 Å²	40	37.6 Å²	37.6	17%	0.174	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-45.1	174.7	-71.5	-179.3	-58.9	-172.9	0	111.8	F206 T221 D222 W227 I228 S229 Y331	F206-K225 HydrophobicContact CD1-CD 4.36Å; F206-K225 HydrophobicContact CD1-CG 3.93Å; F206-K225 HydrophobicContact CE1-CG 3.85Å; T221-K225 HydrophobicContact CG2-CD 4.3Å; T221-K225 WeakPolarHBondContact O-CG 3.34Å; T221-K225 PolarHBondContact O-N 2.86Å; D222-K225 PolarHBondContact O-N 2.81Å; D222-K225 WeakPolarHBondContact OD1-CE 3.17Å; D222-K225 IonicContact OD1-NZ 3.91Å; D222-K225 PolarHBondContact OD1-NZ 3.2Å; K225-W227 VanDerWaalsContact C-N 3.33Å; K225-I228 PolarHBondContact O-N 2.98Å; K225-S229 WeakPolarHBondContact O-CB 3.32Å; K225-S229 PolarHBondContact O-N 3.14Å; K225-Y331 HydrophobicContact CB-CE1 4.33Å; K225-Y331 HydrophobicContact CG-CE1 3.73Å
226	D	98.6	Very high	97.7	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-45.2	175.8	178.6	68.2	0	0	0	111	D222 V224 S229 K230 Y496	D222-D226 WeakPolarHBondContact O-CB 3.39Å; D222-D226 PolarHBondContact O-N 2.79Å; V224-D226 PolarHBondContact O-N 3.42Å; D226-S229 PolarHBondContact O-N 3.23Å; D226-S229 PolarHBondContact O-OG 3.15Å; D226-K230 VanDerWaalsContact CG-NZ 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.18Å; D226-K230 PolarHBondContact O-N 2.86Å; D226-K230 WeakPolarHBondContact OD1-CE 3.28Å; D226-K230 IonicContact OD1-NZ 3.79Å; D226-K230 PolarHBondContact OD1-NZ 3.11Å; D226-K230 VanDerWaalsContact OD2-CE 3.28Å; D226-K230 WeakPolarHBondContact OD2-CE 3.44Å; D226-K230 IonicContact OD2-NZ 2.76Å; D226-K230 PolarHBondContact OD2-NZ 3.06Å; D226-Y496 HydrophobicContact CB-CE2 4.02Å; D226-Y496 WeakPolarHBondContact OD1-CE2 3.41Å; D226-Y496 PolarHBondContact OD1-OH 3.14Å
227	W	98.5	Very high	97.8	Very high	6 Å²	6	24.9 Å²	24.9	2%	0.023	14%	0.136	C	C	.	.	H	α-helix	trans	-60.4	-47.8	177.2	178.5	38.2	0	0	0	113	Y96 I98 V109 K127 V129 H170 L172 S223 V224 K225 S229 K230 I231 F233	Y96-W227 PolarHBondContact OH-NE1 3.18Å; I98-W227 HydrophobicContact CB-CB 4.28Å; I98-W227 HydrophobicContact CB-CG 4.47Å; I98-W227 HydrophobicContact CD1-CB 4.36Å; I98-W227 HydrophobicContact CD1-CD2 4.32Å; I98-W227 HydrophobicContact CD1-CE3 3.92Å; I98-W227 HydrophobicContact CG2-CB 3.92Å; I98-W227 HydrophobicContact CG2-CD2 3.97Å; I98-W227 HydrophobicContact CG2-CG 3.63Å; V109-W227 HydrophobicContact CG1-CH2 4.41Å; V109-W227 HydrophobicContact CG1-CZ2 3.99Å; V109-W227 HydrophobicContact CG2-CH2 4.34Å; V109-W227 HydrophobicContact CG2-CZ2 4.27Å; K127-W227 HydrophobicContact CB-CH2 3.82Å; K127-W227 HydrophobicContact CB-CZ2 4.24Å; K127-W227 HydrophobicContact CD-CE3 4.36Å; K127-W227 HydrophobicContact CD-CH2 3.53Å; K127-W227 HydrophobicContact CD-CZ2 4.13Å; K127-W227 HydrophobicContact CD-CZ3 3.66Å; K127-W227 HydrophobicContact CG-CH2 4.24Å; V129-W227 HydrophobicContact CG2-CZ3 4.05Å; H170-W227 HydrophobicContact CB-CH2 4.25Å; H170-W227 HydrophobicContact CB-CZ2 3.62Å; L172-W227 HydrophobicContact CB-CH2 4.34Å; L172-W227 HydrophobicContact CB-CZ3 4.25Å; L172-W227 HydrophobicContact CD2-CZ3 4.13Å; S223-W227 VanDerWaalsContact O-CB 3.27Å; S223-W227 WeakPolarHBondContact O-CB 3.49Å; S223-W227 PolarHBondContact O-N 3.36Å; V224-W227 PolarHBondContact O-N 2.9Å; K225-W227 VanDerWaalsContact C-N 3.33Å; W227-S229 PolarHBondContact O-N 2.92Å; W227-K230 PolarHBondContact O-N 3.02Å; W227-I231 PolarHBondContact O-N 3.29Å; W227-F233 HydrophobicContact CD2-CE2 4.16Å; W227-F233 HydrophobicContact CD2-CZ 4.29Å; W227-F233 AromaticContact CE2-CE2 3.72Å; W227-F233 AromaticContact CE2-CZ 3.4Å; W227-F233 HydrophobicContact CG-CE2 4.48Å; W227-F233 HydrophobicContact CH2-CZ 4.25Å; W227-F233 HydrophobicContact CZ2-CE1 4.12Å; W227-F233 AromaticContact CZ2-CE2 3.97Å; W227-F233 HydrophobicContact CZ2-CE2 3.97Å; W227-F233 AromaticContact CZ2-CZ 3.35Å; W227-F233 HydrophobicContact CZ2-CZ 3.35Å; W227-F233 AromaticContact NE1-CE2 3.77Å; W227-F233 AromaticContact NE1-CZ 3.42Å
228	I	97.6	Very high	97.9	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.015	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-31.8	176.4	-64.2	162.5	0	0	0	111.2	V224 K225 K230 Y331 N332 Y336	V224-I228 HydrophobicContact CG1-CD1 3.61Å; V224-I228 HydrophobicContact CG1-CG1 4.27Å; V224-I228 WeakPolarHBondContact O-CD1 3.39Å; V224-I228 VanDerWaalsContact O-CG1 3.24Å; V224-I228 WeakPolarHBondContact O-CG1 3.36Å; V224-I228 PolarHBondContact O-N 2.85Å; K225-I228 PolarHBondContact O-N 2.98Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 2.8Å; I228-Y331 HydrophobicContact CD1-CD1 4.28Å; I228-Y331 HydrophobicContact CD1-CE1 4.25Å; I228-N332 WeakPolarHBondContact CD1-OD1 3.31Å; I228-Y336 HydrophobicContact CB-CD2 4.45Å; I228-Y336 HydrophobicContact CB-CE2 4.43Å; I228-Y336 HydrophobicContact CG2-CD1 4.26Å; I228-Y336 HydrophobicContact CG2-CD2 3.29Å; I228-Y336 HydrophobicContact CG2-CE2 3.69Å; I228-Y336 HydrophobicContact CG2-CG 3.59Å
229	S	95.6	Very high	97.9	Very high	63 Å²	63	23.7 Å²	23.7	44%	0.441	12%	0.123	S	C	.	.	H	α-helix	trans	-71.9	-22.2	178.3	80.3	0	0	0	0	114.2	K225 D226 W227 Y336	K225-S229 WeakPolarHBondContact O-CB 3.32Å; K225-S229 PolarHBondContact O-N 3.14Å; D226-S229 PolarHBondContact O-N 3.23Å; D226-S229 PolarHBondContact O-OG 3.15Å; W227-S229 PolarHBondContact O-N 2.92Å; S229-Y336 VanDerWaalsContact CB-OH 3.32Å; S229-Y336 WeakPolarHBondContact CB-OH 3.13Å
230	K	94.5	Very high	97.9	Very high	149 Å²	149	22 Å²	22	65%	0.648	11%	0.113	S	C	*	.	H	α-helix	trans	-94.7	-24.7	-174.8	-73.4	170.8	177.2	171.4	0	113.6	D226 W227 I228	D226-K230 VanDerWaalsContact CG-NZ 3.28Å; D226-K230 WeakPolarHBondContact O-CG 3.18Å; D226-K230 PolarHBondContact O-N 2.86Å; D226-K230 WeakPolarHBondContact OD1-CE 3.28Å; D226-K230 IonicContact OD1-NZ 3.79Å; D226-K230 PolarHBondContact OD1-NZ 3.11Å; D226-K230 VanDerWaalsContact OD2-CE 3.28Å; D226-K230 WeakPolarHBondContact OD2-CE 3.44Å; D226-K230 IonicContact OD2-NZ 2.76Å; D226-K230 PolarHBondContact OD2-NZ 3.06Å; W227-K230 PolarHBondContact O-N 3.02Å; I228-K230 VanDerWaalsContact C-N 3.29Å; I228-K230 PolarHBondContact O-N 2.8Å
231	I	94.7	Very high	97.8	Very high	32 Å²	32	22.1 Å²	22.1	16%	0.164	11%	0.114	C	C	.	.	S	Bend	trans	-126.1	129.2	-176.6	-56	-176.8	0	0	0	108.7	D125 W227 F233	D125-I231 HydrophobicContact CB-CG2 3.63Å; W227-I231 PolarHBondContact O-N 3.29Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 HydrophobicContact CB-CD2 4.24Å; I231-F233 HydrophobicContact CB-CE1 4.31Å; I231-F233 HydrophobicContact CB-CE2 3.66Å; I231-F233 HydrophobicContact CB-CZ 3.69Å; I231-F233 HydrophobicContact CD1-CZ 4.02Å; I231-F233 HydrophobicContact CG1-CZ 4.4Å; I231-F233 HydrophobicContact CG2-CD1 4.12Å; I231-F233 HydrophobicContact CG2-CD2 4.34Å; I231-F233 HydrophobicContact CG2-CE1 3.7Å; I231-F233 HydrophobicContact CG2-CE2 3.96Å; I231-F233 HydrophobicContact CG2-CG 4.41Å; I231-F233 HydrophobicContact CG2-CZ 3.6Å; I231-F233 WeakPolarHBondContact O-CD2 3.05Å; I231-F233 PolarHBondContact O-N 2.96Å
232	Q	94.8	Very high	97.6	Very high	48 Å²	48	23.5 Å²	23.5	22%	0.224	13%	0.128	C	C	.	.			trans	-80.9	83.6	178.8	-173.7	171.2	-42.5	0	0	110.4	Q405 T407	Q232-Q405 PolarHBondContact NE2-O 2.93Å; Q232-Q405 PolarHBondContact OE1-O 3.29Å; Q232-T407 HydrophobicContact CB-CG2 4.06Å; Q232-T407 HydrophobicContact CG-CG2 4.37Å; Q232-T407 VanDerWaalsContact OE1-CG2 3.22Å
233	F	98.1	Very high	97.5	Very high	7 Å²	7	21 Å²	21	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.5	175.4	-66.3	-67	0	0	0	112	D125 K127 H170 W227 I231 C338	D125-F233 HydrophobicContact CB-CD1 3.96Å; D125-F233 HydrophobicContact CB-CE1 4.13Å; D125-F233 WeakPolarHBondContact O-CA 3.03Å; K127-F233 HydrophobicContact CB-CD1 3.91Å; K127-F233 HydrophobicContact CB-CE1 3.82Å; K127-F233 HydrophobicContact CB-CZ 4.33Å; K127-F233 HydrophobicContact CD-CD1 4.18Å; K127-F233 HydrophobicContact CD-CD2 3.84Å; K127-F233 HydrophobicContact CD-CE1 4.26Å; K127-F233 HydrophobicContact CD-CE2 3.9Å; K127-F233 HydrophobicContact CD-CG 3.98Å; K127-F233 HydrophobicContact CD-CZ 4.12Å; K127-F233 HydrophobicContact CG-CD1 4.13Å; K127-F233 HydrophobicContact CG-CE1 4.38Å; K127-F233 HydrophobicContact CG-CG 4.25Å; H170-F233 HydrophobicContact CB-CE1 4.05Å; H170-F233 HydrophobicContact CB-CZ 4.39Å; H170-F233 AromaticContact CD2-CE1 3.69Å; H170-F233 AromaticContact CG-CE1 3.83Å; W227-F233 HydrophobicContact CD2-CE2 4.16Å; W227-F233 HydrophobicContact CD2-CZ 4.29Å; W227-F233 AromaticContact CE2-CE2 3.72Å; W227-F233 AromaticContact CE2-CZ 3.4Å; W227-F233 HydrophobicContact CG-CE2 4.48Å; W227-F233 HydrophobicContact CH2-CZ 4.25Å; W227-F233 HydrophobicContact CZ2-CE1 4.12Å; W227-F233 AromaticContact CZ2-CE2 3.97Å; W227-F233 HydrophobicContact CZ2-CE2 3.97Å; W227-F233 AromaticContact CZ2-CZ 3.35Å; W227-F233 HydrophobicContact CZ2-CZ 3.35Å; W227-F233 AromaticContact NE1-CE2 3.77Å; W227-F233 AromaticContact NE1-CZ 3.42Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 HydrophobicContact CB-CD2 4.24Å; I231-F233 HydrophobicContact CB-CE1 4.31Å; I231-F233 HydrophobicContact CB-CE2 3.66Å; I231-F233 HydrophobicContact CB-CZ 3.69Å; I231-F233 HydrophobicContact CD1-CZ 4.02Å; I231-F233 HydrophobicContact CG1-CZ 4.4Å; I231-F233 HydrophobicContact CG2-CD1 4.12Å; I231-F233 HydrophobicContact CG2-CD2 4.34Å; I231-F233 HydrophobicContact CG2-CE1 3.7Å; I231-F233 HydrophobicContact CG2-CE2 3.96Å; I231-F233 HydrophobicContact CG2-CG 4.41Å; I231-F233 HydrophobicContact CG2-CZ 3.6Å; I231-F233 WeakPolarHBondContact O-CD2 3.05Å; I231-F233 PolarHBondContact O-N 2.96Å; F233-C338 HydrophobicContact CB-CB 4.18Å; F233-C338 WeakPolarHBondContact CB-SG 3.29Å; F233-C338 WeakPolarHBondContact O-CA 3.47Å; F233-C338 WeakPolarHBondContact O-CB 3.35Å; F233-C338 PolarHBondContact O-SG 2.9Å
234	V	98.1	Very high	97.4	Very high	10 Å²	10	21.3 Å²	21.3	6%	0.061	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-48	177.3	-178.4	0	0	0	0	111	P124 D125 M339 A374 W413 I415	P124-V234 HydrophobicContact CB-CB 4.35Å; P124-V234 HydrophobicContact CB-CG2 3.77Å; D125-V234 PolarHBondContact O-N 3.33Å; V234-M339 PolarHBondContact O-N 2.95Å; V234-A374 HydrophobicContact CG1-CB 4.45Å; V234-W413 HydrophobicContact CB-CB 4.42Å; V234-W413 HydrophobicContact CG1-CB 3.84Å; V234-W413 HydrophobicContact CG2-CB 3.65Å; V234-W413 HydrophobicContact CG2-CD2 3.99Å; V234-W413 HydrophobicContact CG2-CE3 4Å; V234-W413 HydrophobicContact CG2-CG 3.84Å; V234-I415 HydrophobicContact CG1-CD1 4.28Å; V234-I415 HydrophobicContact CG1-CG1 4.11Å
235	L	98.8	Very high	97.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	144.4	-174.7	-176.3	67.8	0	0	0	110.3	V126 K127 L287 M339 F370 E373 A374 I415	V126-L235 WeakPolarHBondContact CA-O 3.38Å; V126-L235 HydrophobicContact CB-CB 4.48Å; V126-L235 HydrophobicContact CG1-CB 4.01Å; K127-L235 PolarHBondContact N-O 3.42Å; L235-L287 HydrophobicContact CD1-CD1 3.82Å; L235-L287 HydrophobicContact CD1-CD2 3.95Å; L235-L287 HydrophobicContact CD1-CG 4.49Å; L235-M339 HydrophobicContact CD1-CB 4.35Å; L235-M339 WeakPolarHBondContact CD1-O 3.43Å; L235-F370 HydrophobicContact CD1-CE1 4.03Å; L235-F370 HydrophobicContact CD1-CE2 4.07Å; L235-F370 HydrophobicContact CD1-CZ 3.55Å; L235-F370 HydrophobicContact CD2-CD1 4.02Å; L235-F370 HydrophobicContact CD2-CE1 3.81Å; L235-F370 HydrophobicContact CD2-CZ 4.08Å; L235-F370 WeakPolarHBondContact CD2-O 3.49Å; L235-F370 HydrophobicContact CG-CD1 4.39Å; L235-F370 HydrophobicContact CG-CE1 3.69Å; L235-F370 HydrophobicContact CG-CZ 3.78Å; L235-E373 HydrophobicContact CD2-CB 4.22Å; L235-A374 HydrophobicContact CB-CB 4.1Å; L235-A374 HydrophobicContact CD2-CB 4.3Å; L235-I415 HydrophobicContact CB-CD1 4.17Å; L235-I415 HydrophobicContact CD1-CD1 3.83Å; L235-I415 HydrophobicContact CG-CD1 4.43Å
236	S	98.9	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	148.4	179.4	-167.5	0	0	0	0	113	K127 M339 E340 I341 F370	K127-S236 VanDerWaalsContact CE-OG 3.27Å; K127-S236 WeakPolarHBondContact CE-OG 3.41Å; K127-S236 WeakPolarHBondContact CG-OG 3.05Å; K127-S236 VanDerWaalsContact NZ-CB 3.3Å; K127-S236 PolarHBondContact NZ-OG 3.21Å; K127-S236 VanDerWaalsContact O-CA 3.25Å; K127-S236 WeakPolarHBondContact O-CA 3.46Å; S236-M339 PolarHBondContact N-O 3.37Å; S236-E340 VanDerWaalsContact CB-OE2 3.26Å; S236-E340 WeakPolarHBondContact CB-OE2 3.39Å; S236-E340 VanDerWaalsContact O-CA 3.29Å; S236-E340 WeakPolarHBondContact O-CA 3.2Å; S236-E340 PolarHBondContact OG-OE2 3.48Å; S236-I341 PolarHBondContact O-N 3.24Å; S236-F370 VanDerWaalsContact O-CZ 3.3Å; S236-F370 WeakPolarHBondContact O-CZ 3.37Å
237	G	98.8	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.7	167	0	0	0	0	0	111.5	K127 Y128 V129 I341	K127-G237 PolarHBondContact O-N 2.86Å; K127-G237 VanDerWaalsContact O-N 3.1Å; Y128-G237 WeakPolarHBondContact CA-O 3.09Å; Y128-G237 WeakPolarHBondContact CD1-O 3.49Å; V129-G237 PolarHBondContact N-O 3.48Å; G237-I341 WeakPolarHBondContact CA-O 3.38Å
238	S	98.8	Very high	97.4	Very high	1 Å²	1	19 Å²	19	1%	0.007	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.6	170.9	-171.9	0	0	0	0	109.5	V129 H240 M328 I341 T342 L343	V129-S238 CarbonylContact O-C 3.51Å; V129-S238 WeakPolarHBondContact O-CA 3.13Å; S238-H240 PolarHBondContact OG-CD2 2.81Å; S238-H240 PolarHBondContact OG-NE2 3.1Å; S238-H240 VanDerWaalsContact OG-NE2 3.11Å; S238-M328 WeakPolarHBondContact OG-CE 3.29Å; S238-I341 PolarHBondContact N-O 3.13Å; S238-T342 CarbonylContact O-C 3.59Å; S238-L343 PolarHBondContact O-N 3Å
239	L	98.9	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.8	-176.4	-72.1	71.7	0	0	0	111.1	Y128 V129 M142 L143 L343 I345 L367	Y128-L239 HydrophobicContact CD1-CD1 3.48Å; Y128-L239 VanDerWaalsContact CD1-CD1 3.48Å; Y128-L239 HydrophobicContact CE1-CD1 4.01Å; Y128-L239 HydrophobicContact CG-CD1 4.19Å; V129-L239 PolarHBondContact O-N 3.34Å; M142-L239 HydrophobicContact CB-CD2 4.32Å; L143-L239 HydrophobicContact CD1-CD1 4.43Å; L143-L239 HydrophobicContact CD2-CD1 4.3Å; L143-L239 HydrophobicContact CD2-CD2 4.1Å; L143-L239 HydrophobicContact CG-CD2 4.08Å; L239-L343 WeakPolarHBondContact CA-O 3.12Å; L239-L343 HydrophobicContact CD1-CD1 4.24Å; L239-L343 HydrophobicContact CG-CB 4.48Å; L239-L343 HydrophobicContact CG-CD1 4.45Å; L239-I345 HydrophobicContact CD2-CD1 4.05Å; L239-L367 HydrophobicContact CD2-CD2 4.14Å
240	H	98.7	Very high	97.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	171.6	-175	-76.3	-95.7	0	0	0	112	I132 H133 E136 S238 T342 L343 E344 I345	I132-H240 WeakPolarHBondContact CG2-CE1 3.22Å; I132-H240 VanDerWaalsContact CG2-NE2 3.35Å; I132-H240 WeakPolarHBondContact CG2-NE2 3.44Å; H133-H240 AromaticContact CE1-CE1 3.48Å; H133-H240 PolarHBondContact CE1-CE1 2.93Å; H133-H240 VanDerWaalsContact CE1-CE1 3.48Å; H133-H240 AromaticContact CE1-ND1 3.57Å; H133-H240 AromaticContact ND1-CE1 3.62Å; H133-H240 AromaticContact ND1-ND1 3.34Å; H133-H240 PolarHBondContact ND1-ND1 3.44Å; E136-H240 IonicContact OE2-CG 3.93Å; E136-H240 IonicContact OE2-ND1 3.87Å; E136-H240 PolarHBondContact OE2-ND1 3.05Å; S238-H240 PolarHBondContact OG-CD2 2.81Å; S238-H240 PolarHBondContact OG-NE2 3.1Å; S238-H240 VanDerWaalsContact OG-NE2 3.11Å; H240-T342 HydrophobicContact CB-CG2 4.43Å; H240-T342 VanDerWaalsContact CD2-CG2 3.48Å; H240-T342 WeakPolarHBondContact CD2-CG2 3.43Å; H240-L343 PolarHBondContact N-O 3.02Å; H240-E344 HydrophobicContact CB-CG 4.42Å; H240-E344 WeakPolarHBondContact CB-OE1 3.5Å; H240-E344 VanDerWaalsContact CB-OE2 3.28Å; H240-E344 WeakPolarHBondContact CB-OE2 3.37Å; H240-E344 IonicContact CG-OE1 2.75Å; H240-I345 WeakPolarHBondContact O-CG1 3.1Å; H240-I345 PolarHBondContact O-N 3.18Å
241	G	97	Very high	97.5	Very high	2 Å²	2	9.6 Å²	9.6	2%	0.021	6%	0.056	C	C	.	.			trans	-141.2	159.7	173.8	0	0	0	0	0	112.3	E136 E344	E136-G241 WeakPolarHBondContact CG-O 3.27Å; E136-G241 PolarHBondContact OE2-N 2.82Å; G241-E344 VanDerWaalsContact C-OE2 3.27Å; G241-E344 WeakPolarHBondContact CA-OE2 3.08Å; G241-E344 PolarHBondContact N-OE2 2.75Å
242	G	95.1	Very high	97.3	Very high	30 Å²	30	8.1 Å²	8.1	31%	0.309	5%	0.048	S	C	.	.	S	Bend	trans	118.3	-13.3	-174.5	0	0	0	0	0	113.1	S346 C347	G242-S346 PolarHBondContact N-O 3.03Å; G242-C347 CarbonylContact C-O 3.55Å; G242-C347 WeakPolarHBondContact CA-O 3.15Å
243	A	95.6	Very high	96.9	Very high	6 Å²	6	6.9 Å²	6.9	5%	0.05	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	178.8	172.5	0	0	0	0	0	110.9	V245 F311 W321 E344 S346	A243-V245 HydrophobicContact CB-CG1 4.19Å; A243-F311 HydrophobicContact CB-CE2 4.46Å; A243-W321 HydrophobicContact CB-CH2 3.65Å; A243-W321 HydrophobicContact CB-CZ2 3.84Å; A243-E344 HydrophobicContact CB-CB 3.88Å; A243-E344 HydrophobicContact CB-CG 4.05Å; A243-E344 CarbonylContact O-C 3.5Å; A243-E344 WeakPolarHBondContact O-CB 3.38Å; A243-S346 PolarHBondContact N-O 3.15Å; A243-S346 CarbonylContact O-C 3.49Å; A243-S346 PolarHBondContact O-N 3.01Å
244	L	97.6	Very high	96	Very high	24 Å²	24	10.3 Å²	10.3	13%	0.126	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	85.9	173.1	-171.1	67.8	0	0	0	109.9	K297 M298 E344	L244-K297 HydrophobicContact CD2-CB 4.28Å; L244-M298 HydrophobicContact CD1-CB 4.48Å; L244-M298 HydrophobicContact CD1-CE 3.96Å; L244-M298 HydrophobicContact CG-CB 4.23Å; L244-M298 HydrophobicContact CG-CE 4.5Å; L244-M298 HydrophobicContact CG-CG 4.31Å; L244-E344 VanDerWaalsContact CA-O 3.32Å; L244-E344 WeakPolarHBondContact CA-O 3.39Å
245	V	98.3	Very high	94.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	146.9	-173.2	63.1	0	0	0	0	111.6	A243 F311 G314 T316 W321 E344	A243-V245 HydrophobicContact CB-CG1 4.19Å; V245-F311 HydrophobicContact CB-CB 4.23Å; V245-F311 HydrophobicContact CB-CD1 4.32Å; V245-F311 HydrophobicContact CB-CD2 3.52Å; V245-F311 HydrophobicContact CB-CE2 3.83Å; V245-F311 HydrophobicContact CB-CG 3.77Å; V245-F311 HydrophobicContact CB-CZ 4.35Å; V245-F311 HydrophobicContact CG1-CD2 4.01Å; V245-F311 HydrophobicContact CG1-CE1 4.4Å; V245-F311 HydrophobicContact CG1-CE2 3.77Å; V245-F311 HydrophobicContact CG1-CG 4.41Å; V245-F311 HydrophobicContact CG1-CZ 3.98Å; V245-F311 HydrophobicContact CG2-CB 3.69Å; V245-F311 HydrophobicContact CG2-CD1 3.78Å; V245-F311 HydrophobicContact CG2-CD2 3.82Å; V245-F311 HydrophobicContact CG2-CE1 4.32Å; V245-F311 HydrophobicContact CG2-CE2 4.35Å; V245-F311 HydrophobicContact CG2-CG 3.48Å; V245-F311 VanDerWaalsContact CG2-CG 3.48Å; V245-G314 WeakPolarHBondContact CA-O 3.21Å; V245-T316 HydrophobicContact CG1-CG2 4.38Å; V245-T316 HydrophobicContact CG2-CG2 3.69Å; V245-W321 HydrophobicContact CG1-CE3 4.4Å; V245-W321 HydrophobicContact CG1-CH2 4.2Å; V245-W321 HydrophobicContact CG1-CZ3 3.97Å; V245-E344 HydrophobicContact CG1-CB 3.92Å; V245-E344 HydrophobicContact CG1-CG 3.95Å; V245-E344 PolarHBondContact N-O 3.15Å; V245-E344 WeakPolarHBondContact O-CB 3.43Å; V245-E344 PolarHBondContact O-N 3.47Å
246	A	98.7	Very high	92.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	107.5	163.6	0	0	0	0	0	109.7	M298 G314 I315 T316 I341 T342 L343	A246-M298 HydrophobicContact CB-SD 4.12Å; A246-G314 PolarHBondContact N-O 3.49Å; A246-I315 HydrophobicContact CB-CG2 4.36Å; A246-I315 CarbonylContact O-C 3.57Å; A246-I315 VanDerWaalsContact O-CA 3.24Å; A246-I315 WeakPolarHBondContact O-CA 3.05Å; A246-T316 PolarHBondContact O-N 3.13Å; A246-I341 HydrophobicContact CB-CD1 4.49Å; A246-T342 CarbonylContact C-O 3.51Å; A246-L343 HydrophobicContact CB-CD2 4.03Å
247	S	98.4	Very high	89.6	Confident	4 Å²	4	27.2 Å²	27.2	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	135.9	177.2	-178.1	0	0	0	0	110.5	T316 G318 Q329 T342	S247-T316 CarbonylContact C-O 3.57Å; S247-T316 VanDerWaalsContact CA-O 3.26Å; S247-T316 WeakPolarHBondContact CA-O 3.19Å; S247-G318 WeakPolarHBondContact OG-CA 3.19Å; S247-Q329 PolarHBondContact O-OE1 3.25Å; S247-T342 PolarHBondContact N-O 3.18Å; S247-T342 PolarHBondContact O-N 3.37Å
248	Y	98.7	Very high	87	Confident	19 Å²	19	34.3 Å²	34.3	8%	0.075	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.5	-178.1	58.4	-92.8	0	0	0	113.8	F284 K285 S288 I315 T316 N317 G318	Y248-F284 HydrophobicContact CD2-CB 4.12Å; Y248-F284 HydrophobicContact CG-CB 4.29Å; Y248-K285 HydrophobicContact CD2-CG 4.48Å; Y248-K285 HydrophobicContact CE1-CG 4Å; Y248-K285 HydrophobicContact CE2-CG 3.76Å; Y248-K285 WeakPolarHBondContact OH-CE 3.33Å; Y248-S288 WeakPolarHBondContact CB-OG 2.98Å; Y248-S288 WeakPolarHBondContact CD1-OG 3.15Å; Y248-I315 HydrophobicContact CD1-CB 4.48Å; Y248-I315 HydrophobicContact CE1-CB 4.12Å; Y248-I315 HydrophobicContact CE1-CD1 3.95Å; Y248-I315 HydrophobicContact CE1-CG1 4.12Å; Y248-T316 WeakPolarHBondContact CD1-O 3.16Å; Y248-T316 WeakPolarHBondContact CE1-O 3.44Å; Y248-T316 PolarHBondContact N-O 3.32Å; Y248-N317 HydrophobicContact CD2-CB 4.37Å; Y248-N317 HydrophobicContact CE2-CB 3.74Å; Y248-N317 WeakPolarHBondContact O-CA 3.4Å; Y248-G318 PolarHBondContact O-N 3.26Å
249	P	98.2	Very high	84.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-54.6	156.9	-178.9	-33.9	39.4	0	0	0	116.3	T278 F284 N317 Q329	P249-T278 HydrophobicContact CB-CG2 3.39Å; P249-F284 HydrophobicContact CB-CD2 4.49Å; P249-F284 HydrophobicContact CB-CE2 4.29Å; P249-F284 HydrophobicContact CB-CZ 4.35Å; P249-F284 HydrophobicContact CG-CD1 4.1Å; P249-F284 HydrophobicContact CG-CE1 3.74Å; P249-F284 HydrophobicContact CG-CE2 4.21Å; P249-F284 HydrophobicContact CG-CG 4.48Å; P249-F284 HydrophobicContact CG-CZ 3.8Å; P249-N317 PolarHBondContact O-ND2 2.89Å; P249-Q329 HydrophobicContact CG-CG 3.75Å
250	Y	96.9	Very high	81.9	Confident	10 Å²	10	47 Å²	47	4%	0.039	24%	0.235	C	C	.	.			cis	-80.6	149.3	-9.5	-69.2	-66	0	0	0	112.2	Y209 F210 S276 L277 T278 N317 A319 D330 Y333 V334	Y209-Y250 HydrophobicContact CD1-CE1 4.39Å; F210-Y250 HydrophobicContact CE2-CD1 4.11Å; F210-Y250 HydrophobicContact CE2-CD2 4.11Å; F210-Y250 AromaticContact CE2-CG 3.8Å; F210-Y250 HydrophobicContact CE2-CG 3.8Å; F210-Y250 HydrophobicContact CZ-CD1 4.35Å; F210-Y250 AromaticContact CZ-CD2 3.67Å; F210-Y250 HydrophobicContact CZ-CD2 3.67Å; F210-Y250 AromaticContact CZ-CE2 3.99Å; F210-Y250 HydrophobicContact CZ-CE2 3.99Å; F210-Y250 AromaticContact CZ-CG 3.87Å; F210-Y250 HydrophobicContact CZ-CG 3.87Å; Y250-S276 PolarHBondContact N-O 2.86Å; Y250-L277 WeakPolarHBondContact CE2-O 3.41Å; Y250-T278 HydrophobicContact CD1-CG2 3.97Å; Y250-T278 HydrophobicContact CD2-CG2 3.71Å; Y250-T278 HydrophobicContact CE1-CG2 3.9Å; Y250-T278 HydrophobicContact CE2-CG2 3.66Å; Y250-T278 HydrophobicContact CG-CG2 3.87Å; Y250-N317 PolarHBondContact N-ND2 3.15Å; Y250-A319 WeakPolarHBondContact O-CB 3.2Å; Y250-A319 PolarHBondContact O-N 3.03Å; Y250-D330 WeakPolarHBondContact CA-OD1 3.49Å; Y250-D330 HydrophobicContact CD1-CB 4.41Å; Y250-Y333 AromaticContact CE1-CD1 3.89Å; Y250-Y333 HydrophobicContact CE1-CD1 3.89Å; Y250-Y333 HydrophobicContact CE1-CE1 4.05Å; Y250-Y333 AromaticContact CZ-CE1 3.99Å; Y250-V334 HydrophobicContact CE1-CG2 3.71Å
251	D	94.4	Very high	79.2	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.032	27%	0.274	C	S	.	.	S	Bend	trans	-78.6	-24.4	172.4	-81.2	-16.4	0	0	0	112.4	P323 L324 Q329 D330	D251-P323 CarbonylContact O-C 3.49Å; D251-P323 WeakPolarHBondContact O-CA 3.25Å; D251-L324 HydrophobicContact CB-CB 4.11Å; D251-L324 HydrophobicContact CB-CD2 4.13Å; D251-L324 HydrophobicContact CB-CG 4.49Å; D251-L324 PolarHBondContact O-N 3.37Å; D251-Q329 PolarHBondContact OD1-NE2 2.79Å; D251-Q329 PolarHBondContact OD2-NE2 3.34Å; D251-D330 PolarHBondContact N-OD1 3.38Å; D251-D330 PolarHBondContact N-OD2 2.74Å
252	N	90.3	Very high	76.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.294	C	S	.	.	S	Bend	trans	-120.1	167	-178.8	-156.2	2	0	0	0	112.7	D208 F210 S276 L324 T325 D330	D208-N252 VanDerWaalsContact CG-ND2 3.28Å; D208-N252 PolarHBondContact OD1-ND2 2.97Å; D208-N252 VanDerWaalsContact OD1-ND2 3.08Å; D208-N252 PolarHBondContact OD2-ND2 3.11Å; F210-N252 HydrophobicContact CD2-CB 3.84Å; F210-N252 HydrophobicContact CE2-CB 4.38Å; F210-N252 VanDerWaalsContact CE2-O 3.24Å; F210-N252 WeakPolarHBondContact CE2-O 3.28Å; N252-S276 WeakPolarHBondContact O-CB 3.07Å; N252-S276 PolarHBondContact O-OG 2.92Å; N252-L324 WeakPolarHBondContact CB-O 3.21Å; N252-T325 PolarHBondContact ND2-OG1 2.7Å; N252-D330 PolarHBondContact N-OD2 3.42Å
253	T	85.8	Confident	74.9	Confident	23 Å²	23	58.2 Å²	58.2	14%	0.141	31%	0.314	C	S	.	.			trans	-113.9	149	176.4	53.3	0	0	0	0	112.1	F210 A319	F210-T253 WeakPolarHBondContact CB-O 3.38Å; T253-A319 HydrophobicContact CG2-CB 3.83Å
254	P	80.8	Confident	72.6	Confident	78 Å²	78	63.2 Å²	63.2	51%	0.506	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-54.9	139.7	166.5	-17.4	24.8	0	0	0	111.3	F210 S256	F210-P254 HydrophobicContact CD1-CB 3.91Å; F210-P254 HydrophobicContact CD1-CG 3.6Å; F210-P254 HydrophobicContact CE1-CB 4.32Å; F210-P254 HydrophobicContact CE1-CG 3.51Å; F210-P254 HydrophobicContact CZ-CG 4.39Å; P254-S256 PolarHBondContact O-N 3.48Å; P254-S256 VanDerWaalsContact O-N 3.08Å
255	N	64.9	Low	70.3	Confident	90 Å²	90	63.5 Å²	63.5	48%	0.481	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.1	118	168.3	-79.6	-25.2	0	0	0	109.5	K211 R257	K211-N255 WeakPolarHBondContact CE-OD1 3.48Å; N255-R257 PolarHBondContact O-N 3.17Å
256	S	52.7	Low	67.9	Low	56 Å²	56	66.6 Å²	66.6	39%	0.392	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-57.2	123.7	166.1	179	0	0	0	0	109.1	P254 I258 C259	P254-S256 PolarHBondContact O-N 3.48Å; P254-S256 VanDerWaalsContact O-N 3.08Å; S256-I258 PolarHBondContact O-N 3.45Å; S256-I258 PolarHBondContact OG-N 3.17Å; S256-C259 PolarHBondContact O-N 2.94Å; S256-C259 VanDerWaalsContact O-N 3.12Å
257	R	42.2	Very low	65.4	Low	220 Å²	220	72.1 Å²	72.1	83%	0.83	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-14.8	177.1	-72.8	-174.5	-175.1	177.5	2	113.1	N255 C259	N255-R257 PolarHBondContact O-N 3.17Å; R257-C259 VanDerWaalsContact C-N 3.35Å
258	I	44.2	Very low	62.8	Low	150 Å²	150	78.7 Å²	78.7	77%	0.769	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.4	-179.7	-62.1	171.9	0	0	0	112.2	S256	S256-I258 PolarHBondContact O-N 3.45Å; S256-I258 PolarHBondContact OG-N 3.17Å
259	C	47.8	Very low	60.2	Low	41 Å²	41	79.6 Å²	79.6	28%	0.277	43%	0.429	S	S	.	.			trans	-106.1	44.2	-171.6	-79.1	0	0	0	0	113.8	S256 R257 C265	S256-C259 PolarHBondContact O-N 2.94Å; S256-C259 VanDerWaalsContact O-N 3.12Å; R257-C259 VanDerWaalsContact C-N 3.35Å; C259-C265 HydrophobicContact CB-CB 3.6Å; C259-C265 WeakPolarHBondContact CB-SG 3.17Å; C259-C265 WeakPolarHBondContact SG-CB 3.38Å; C259-C265 CovalentContact SG-SG 2.06Å; C259-C265 PolarHBondContact SG-SG 3.08Å
260	R	43	Very low	57.7	Low	226 Å²	226	84.2 Å²	84.2	85%	0.853	46%	0.457	S	S	*	.	S	Bend	trans	-85	-4	178.3	-81.5	-171.1	173.8	-179.3	-1.9	115.3
261	S	43.8	Very low	55.1	Low	117 Å²	117	92.5 Å²	92.5	82%	0.818	49%	0.49	S	S	*	.	S	Bend	trans	-137.1	12.6	-164.3	52.7	0	0	0	0	117.7
262	S	47.1	Very low	53	Low	62 Å²	62	95.4 Å²	95.4	43%	0.434	51%	0.511	S	S	.	.			trans	-146.5	136.4	168.8	91.4	0	0	0	0	114.2	L264 C265	S262-L264 PolarHBondContact O-N 3.17Å; S262-L264 WeakPolarHBondContact OG-CB 3.4Å; S262-L264 PolarHBondContact OG-N 3.04Å; S262-C265 WeakPolarHBondContact O-CB 3.43Å; S262-C265 PolarHBondContact O-N 3.19Å; S262-C265 PolarHBondContact OG-N 3.15Å; S262-C265 VanDerWaalsContact OG-N 3.07Å
263	A	53.6	Low	51.9	Low	89 Å²	89	98 Å²	98	74%	0.736	53%	0.533	S	S	*	.	H	α-helix	trans	-58.4	-22.9	169.1	0	0	0	0	0	112.2
264	L	47.4	Very low	51.7	Low	112 Å²	112	99 Å²	99	59%	0.586	54%	0.543	S	S	*	.	H	α-helix	trans	-66.6	-36.5	171.6	-105.5	84.5	0	0	0	112.6	S262 A266 M267 F268	S262-L264 PolarHBondContact O-N 3.17Å; S262-L264 WeakPolarHBondContact OG-CB 3.4Å; S262-L264 PolarHBondContact OG-N 3.04Å; L264-A266 PolarHBondContact O-N 2.75Å; L264-M267 WeakPolarHBondContact O-CB 3.44Å; L264-M267 PolarHBondContact O-N 3.04Å; L264-M267 VanDerWaalsContact O-N 3.13Å; L264-F268 WeakPolarHBondContact O-CD2 3.3Å; L264-F268 PolarHBondContact O-N 3.38Å; L264-F268 VanDerWaalsContact O-N 3.13Å
265	C	49.8	Very low	52.1	Low	30 Å²	30	99.5 Å²	99.5	20%	0.203	55%	0.546	C	S	.	.	H	α-helix	trans	-67.2	-36.5	-179.7	-125.5	0	0	0	0	111.8	C259 S262 M267 F268 Q269	C259-C265 HydrophobicContact CB-CB 3.6Å; C259-C265 WeakPolarHBondContact CB-SG 3.17Å; C259-C265 WeakPolarHBondContact SG-CB 3.38Å; C259-C265 CovalentContact SG-SG 2.06Å; C259-C265 PolarHBondContact SG-SG 3.08Å; S262-C265 WeakPolarHBondContact O-CB 3.43Å; S262-C265 PolarHBondContact O-N 3.19Å; S262-C265 PolarHBondContact OG-N 3.15Å; S262-C265 VanDerWaalsContact OG-N 3.07Å; C265-M267 PolarHBondContact O-N 2.85Å; C265-F268 PolarHBondContact O-N 3.23Å; C265-F268 VanDerWaalsContact O-N 3.11Å; C265-Q269 PolarHBondContact O-N 2.89Å
266	A	48.2	Very low	53.5	Low	65 Å²	65	95.6 Å²	95.6	54%	0.537	53%	0.526	S	S	.	.	H	α-helix	trans	-61.6	-30.4	173.4	0	0	0	0	0	112	L264 T270	L264-A266 PolarHBondContact O-N 2.75Å; A266-T270 PolarHBondContact O-OG1 2.9Å
267	M	45.8	Very low	55.6	Low	115 Å²	115	97.8 Å²	97.8	57%	0.567	53%	0.533	S	S	*	.	H	α-helix	trans	-73.3	-39	171.4	-68.3	-139.7	-77.3	0	0	112.5	L264 C265 T270 Y271	L264-M267 WeakPolarHBondContact O-CB 3.44Å; L264-M267 PolarHBondContact O-N 3.04Å; L264-M267 VanDerWaalsContact O-N 3.13Å; C265-M267 PolarHBondContact O-N 2.85Å; M267-T270 WeakPolarHBondContact O-CB 3.35Å; M267-T270 PolarHBondContact O-OG1 3.37Å; M267-Y271 WeakPolarHBondContact O-CD2 3.07Å; M267-Y271 WeakPolarHBondContact O-CE2 3.48Å
268	F	43.5	Very low	58.2	Low	142 Å²	142	87.7 Å²	87.7	62%	0.623	50%	0.495	S	S	*	.	H	α-helix	trans	-76.1	-26.1	179.9	-82.4	-77.7	0	0	0	114.9	L264 C265 T270 Y271	L264-F268 WeakPolarHBondContact O-CD2 3.3Å; L264-F268 PolarHBondContact O-N 3.38Å; L264-F268 VanDerWaalsContact O-N 3.13Å; C265-F268 PolarHBondContact O-N 3.23Å; C265-F268 VanDerWaalsContact O-N 3.11Å; F268-T270 PolarHBondContact O-N 3.47Å; F268-Y271 WeakPolarHBondContact O-CB 3.43Å; F268-Y271 PolarHBondContact O-N 2.84Å
269	Q	44.3	Very low	60.7	Low	38 Å²	38	82.6 Å²	82.6	18%	0.178	47%	0.472	C	S	.	.	H	α-helix	trans	-68.9	-22.7	176.7	-140.7	168.1	32.7	0	0	112.6	C265 Y271	C265-Q269 PolarHBondContact O-N 2.89Å; Q269-Y271 PolarHBondContact O-N 2.78Å
270	T	44.8	Very low	63.1	Low	97 Å²	97	80.7 Å²	80.7	60%	0.595	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.6	168.4	-18.2	0	0	0	0	112.8	A266 M267 F268	A266-T270 PolarHBondContact O-OG1 2.9Å; M267-T270 WeakPolarHBondContact O-CB 3.35Å; M267-T270 PolarHBondContact O-OG1 3.37Å; F268-T270 PolarHBondContact O-N 3.47Å
271	Y	42.3	Very low	65.7	Low	184 Å²	184	71 Å²	71	72%	0.722	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-8.6	-175.4	-70.2	-84	0	0	0	114.9	M267 F268 Q269 A273	M267-Y271 WeakPolarHBondContact O-CD2 3.07Å; M267-Y271 WeakPolarHBondContact O-CE2 3.48Å; F268-Y271 WeakPolarHBondContact O-CB 3.43Å; F268-Y271 PolarHBondContact O-N 2.84Å; Q269-Y271 PolarHBondContact O-N 2.78Å; Y271-A273 PolarHBondContact O-N 3.06Å
272	S	51.5	Low	68.3	Low	68 Å²	68	68.2 Å²	68.2	48%	0.476	40%	0.4	S	S	.	.			trans	-99.2	70.4	171	67.4	0	0	0	0	109.7	A274	S272-A274 VanDerWaalsContact C-N 3.3Å; S272-A274 PolarHBondContact O-N 3.15Å
273	A	67.1	Low	70.8	Confident	56 Å²	56	65.3 Å²	65.3	46%	0.463	38%	0.38	S	S	.	.			trans	-64.1	96	166.9	0	0	0	0	0	107.4	Y271 A320	Y271-A273 PolarHBondContact O-N 3.06Å; A273-A320 VanDerWaalsContact CB-O 3.32Å; A273-A320 WeakPolarHBondContact CB-O 3.35Å
274	A	81.9	Confident	72.9	Confident	43 Å²	43	61 Å²	61	36%	0.355	35%	0.345	S	S	.	.			trans	-129.5	144.1	-174.6	0	0	0	0	0	108.6	S272 S276 A319	S272-A274 VanDerWaalsContact C-N 3.3Å; S272-A274 PolarHBondContact O-N 3.15Å; A274-S276 PolarHBondContact O-N 3.47Å; A274-A319 CarbonylContact O-C 3.39Å
275	P	89.3	Confident	75.3	Confident	88 Å²	88	59.1 Å²	59.1	57%	0.571	33%	0.332	S	S	*	.			trans	-56.5	129.3	179	-25.2	33.6	0	0	0	112.8	L277 N317 A320	P275-L277 HydrophobicContact CB-CD2 3.7Å; P275-L277 HydrophobicContact CB-CG 4.48Å; P275-N317 WeakPolarHBondContact CA-OD1 3.33Å; P275-A320 HydrophobicContact CB-CB 4.39Å; P275-A320 HydrophobicContact CG-CB 4Å
276	S	94.2	Very high	77.7	Confident	9 Å²	9	59.8 Å²	59.8	6%	0.063	33%	0.332	C	S	.	.			trans	-107.3	96.2	170.6	-167.2	0	0	0	0	108.2	Y250 N252 A274 N317 A319	Y250-S276 PolarHBondContact N-O 2.86Å; N252-S276 WeakPolarHBondContact O-CB 3.07Å; N252-S276 PolarHBondContact O-OG 2.92Å; A274-S276 PolarHBondContact O-N 3.47Å; S276-N317 PolarHBondContact N-OD1 3.15Å; S276-N317 PolarHBondContact O-ND2 2.95Å; S276-A319 VanDerWaalsContact CB-CB 3.43Å
277	L	95.4	Very high	80.1	Confident	101 Å²	101	56.7 Å²	56.7	53%	0.529	31%	0.306	S	S	.	.			trans	-81.9	137.3	-168.3	-52	-176.9	0	0	0	111.3	Y250 P275 D281	Y250-L277 WeakPolarHBondContact CE2-O 3.41Å; P275-L277 HydrophobicContact CB-CD2 3.7Å; P275-L277 HydrophobicContact CB-CG 4.48Å; L277-D281 HydrophobicContact CB-CB 4.41Å
278	T	96.5	Very high	82.6	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.049	28%	0.279	C	S	.	.			trans	-82.3	161.6	166.3	72.5	0	0	0	0	111.1	P249 Y250 D280 D281 F284 Y333	P249-T278 HydrophobicContact CB-CG2 3.39Å; Y250-T278 HydrophobicContact CD1-CG2 3.97Å; Y250-T278 HydrophobicContact CD2-CG2 3.71Å; Y250-T278 HydrophobicContact CE1-CG2 3.9Å; Y250-T278 HydrophobicContact CE2-CG2 3.66Å; Y250-T278 HydrophobicContact CG-CG2 3.87Å; T278-D280 PolarHBondContact O-N 2.92Å; T278-D280 VanDerWaalsContact O-N 3.15Å; T278-D280 PolarHBondContact OG1-N 3.05Å; T278-D280 VanDerWaalsContact OG1-N 3.11Å; T278-D281 WeakPolarHBondContact O-CB 3.47Å; T278-D281 PolarHBondContact O-N 3Å; T278-D281 PolarHBondContact OG1-N 3.44Å; T278-F284 HydrophobicContact CG2-CD2 4.13Å; T278-F284 HydrophobicContact CG2-CE2 4.06Å; T278-F284 WeakPolarHBondContact OG1-CD2 3.31Å; T278-Y333 HydrophobicContact CG2-CD1 4.23Å; T278-Y333 HydrophobicContact CG2-CE1 3.75Å
279	P	97.1	Very high	85.2	Confident	44 Å²	44	45.8 Å²	45.8	29%	0.286	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-11.7	167.2	-22.5	34.2	0	0	0	114.9	R400 D401 V402	P279-R400 HydrophobicContact CB-CB 3.96Å; P279-R400 HydrophobicContact CB-CG 4.5Å; P279-D401 HydrophobicContact CG-CB 4.24Å; P279-V402 HydrophobicContact CG-CG2 4.17Å
280	D	98.1	Very high	87.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	29.5	176.3	-61.5	-106.4	0	0	0	111.6	T278 D282 V283 F284 Y333 M339 R400 R414	T278-D280 PolarHBondContact O-N 2.92Å; T278-D280 VanDerWaalsContact O-N 3.15Å; T278-D280 PolarHBondContact OG1-N 3.05Å; T278-D280 VanDerWaalsContact OG1-N 3.11Å; D280-D282 PolarHBondContact O-N 3.06Å; D280-V283 HydrophobicContact CB-CB 4.35Å; D280-V283 PolarHBondContact O-N 3.33Å; D280-F284 HydrophobicContact CB-CD2 4.15Å; D280-F284 HydrophobicContact CB-CE2 4.24Å; D280-F284 WeakPolarHBondContact O-CD2 3.44Å; D280-F284 PolarHBondContact O-N 2.96Å; D280-Y333 HydrophobicContact CB-CE2 4.37Å; D280-Y333 PolarHBondContact OD2-OH 3.22Å; D280-M339 HydrophobicContact CB-CE 4.38Å; D280-R400 WeakPolarHBondContact OD1-CD 3.23Å; D280-R400 IonicContact OD1-CZ 3.91Å; D280-R400 IonicContact OD1-NE 3.54Å; D280-R400 IonicContact OD1-NH1 2.85Å; D280-R400 PolarHBondContact OD1-NH1 3.37Å; D280-R414 IonicContact OD1-CZ 3.69Å; D280-R414 IonicContact OD1-NE 3.85Å; D280-R414 PolarHBondContact OD1-NE 2.92Å; D280-R414 IonicContact OD1-NH2 3.23Å; D280-R414 PolarHBondContact OD1-NH2 3.48Å; D280-R414 IonicContact OD2-CZ 2.73Å; D280-R414 IonicContact OD2-NH2 3.01Å; D280-R414 PolarHBondContact OD2-NH2 3.45Å
281	D	98.4	Very high	90.4	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.128	23%	0.225	C	C	.	.	H	α-helix	trans	-54.8	-35.9	-177.7	175.1	74	0	0	0	112.8	L277 T278 F284 K285	L277-D281 HydrophobicContact CB-CB 4.41Å; T278-D281 WeakPolarHBondContact O-CB 3.47Å; T278-D281 PolarHBondContact O-N 3Å; T278-D281 PolarHBondContact OG1-N 3.44Å; D281-F284 PolarHBondContact O-N 3.12Å; D281-K285 WeakPolarHBondContact O-CB 3.26Å; D281-K285 VanDerWaalsContact O-CG 3.31Å; D281-K285 WeakPolarHBondContact O-CG 3.49Å; D281-K285 PolarHBondContact O-N 3.48Å; D281-K285 WeakPolarHBondContact OD1-CE 3.25Å; D281-K285 IonicContact OD1-NZ 3.9Å; D281-K285 WeakPolarHBondContact OD2-CE 3.25Å; D281-K285 IonicContact OD2-NZ 2.74Å; D281-K285 PolarHBondContact OD2-NZ 3.44Å
282	D	98.3	Very high	93.1	Very high	58 Å²	58	31.5 Å²	31.5	31%	0.31	19%	0.191	S	C	.	.	H	α-helix	trans	-59.7	-46.7	174.5	64.6	-38	0	0	0	112.2	D280 H286 R400 L417	D280-D282 PolarHBondContact O-N 3.06Å; D282-H286 WeakPolarHBondContact O-CB 3.42Å; D282-H286 PolarHBondContact O-N 3.44Å; D282-R400 VanDerWaalsContact CG-NH2 3.28Å; D282-R400 IonicContact OD1-CZ 2.75Å; D282-R400 IonicContact OD1-NH1 3.9Å; D282-R400 PolarHBondContact OD1-NH1 3.27Å; D282-R400 IonicContact OD1-NH2 3.06Å; D282-R400 PolarHBondContact OD1-NH2 2.95Å; D282-R400 IonicContact OD2-CZ 3.93Å; D282-R400 IonicContact OD2-NH2 3.18Å; D282-R400 PolarHBondContact OD2-NH2 3.33Å; D282-L417 HydrophobicContact CB-CD1 4.1Å
283	V	98.4	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-68.1	-44.9	178.7	177.4	0	0	0	0	110.2	D280 K285 H286 L287 M339 R400 I415 L417	D280-V283 HydrophobicContact CB-CB 4.35Å; D280-V283 PolarHBondContact O-N 3.33Å; V283-K285 PolarHBondContact O-N 3Å; V283-H286 WeakPolarHBondContact O-CB 3.29Å; V283-H286 PolarHBondContact O-N 3.3Å; V283-H286 VanDerWaalsContact O-N 3.15Å; V283-L287 HydrophobicContact CG1-CD1 4.03Å; V283-L287 HydrophobicContact CG1-CG 4.21Å; V283-L287 VanDerWaalsContact O-CG 3.31Å; V283-L287 WeakPolarHBondContact O-CG 3.33Å; V283-L287 PolarHBondContact O-N 3.01Å; V283-M339 HydrophobicContact CG1-CE 4.06Å; V283-M339 HydrophobicContact CG1-SD 3.53Å; V283-M339 VanDerWaalsContact CG1-SD 3.53Å; V283-R400 VanDerWaalsContact CG2-NH1 3.31Å; V283-I415 HydrophobicContact CG1-CB 4.14Å; V283-I415 HydrophobicContact CG1-CG2 3.76Å; V283-L417 HydrophobicContact CG2-CG 4.13Å
284	F	98.8	Very high	96.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.8	-39.1	-180	-84.7	-62.2	0	0	0	113.4	Y248 P249 T278 D280 D281 H286 L287 S288 Y333 M339 E340 I341	Y248-F284 HydrophobicContact CD2-CB 4.12Å; Y248-F284 HydrophobicContact CG-CB 4.29Å; P249-F284 HydrophobicContact CB-CD2 4.49Å; P249-F284 HydrophobicContact CB-CE2 4.29Å; P249-F284 HydrophobicContact CB-CZ 4.35Å; P249-F284 HydrophobicContact CG-CD1 4.1Å; P249-F284 HydrophobicContact CG-CE1 3.74Å; P249-F284 HydrophobicContact CG-CE2 4.21Å; P249-F284 HydrophobicContact CG-CG 4.48Å; P249-F284 HydrophobicContact CG-CZ 3.8Å; T278-F284 HydrophobicContact CG2-CD2 4.13Å; T278-F284 HydrophobicContact CG2-CE2 4.06Å; T278-F284 WeakPolarHBondContact OG1-CD2 3.31Å; D280-F284 HydrophobicContact CB-CD2 4.15Å; D280-F284 HydrophobicContact CB-CE2 4.24Å; D280-F284 WeakPolarHBondContact O-CD2 3.44Å; D280-F284 PolarHBondContact O-N 2.96Å; D281-F284 PolarHBondContact O-N 3.12Å; F284-H286 VanDerWaalsContact C-N 3.35Å; F284-L287 HydrophobicContact CD1-CD1 4.4Å; F284-L287 PolarHBondContact O-N 3.48Å; F284-S288 WeakPolarHBondContact O-CB 3.25Å; F284-S288 PolarHBondContact O-N 2.71Å; F284-S288 PolarHBondContact O-OG 3.03Å; F284-Y333 HydrophobicContact CE2-CD1 4.17Å; F284-Y333 AromaticContact CE2-CD2 3.69Å; F284-Y333 HydrophobicContact CE2-CD2 3.69Å; F284-Y333 HydrophobicContact CE2-CE1 4.09Å; F284-Y333 AromaticContact CE2-CE2 3.57Å; F284-Y333 HydrophobicContact CE2-CE2 3.57Å; F284-Y333 AromaticContact CE2-CG 3.99Å; F284-Y333 HydrophobicContact CE2-CG 3.99Å; F284-Y333 AromaticContact CE2-CZ 3.8Å; F284-Y333 HydrophobicContact CZ-CD1 4.33Å; F284-Y333 AromaticContact CZ-CD2 3.53Å; F284-Y333 HydrophobicContact CZ-CD2 3.53Å; F284-Y333 AromaticContact CZ-CE2 3.91Å; F284-Y333 HydrophobicContact CZ-CE2 3.91Å; F284-Y333 AromaticContact CZ-CG 3.76Å; F284-Y333 HydrophobicContact CZ-CG 3.76Å; F284-M339 HydrophobicContact CE1-CB 3.88Å; F284-M339 HydrophobicContact CE1-CG 4.34Å; F284-M339 HydrophobicContact CZ-CB 4.1Å; F284-M339 HydrophobicContact CZ-CG 4.11Å; F284-E340 WeakPolarHBondContact CE1-O 3.43Å; F284-I341 HydrophobicContact CD1-CG2 3.76Å; F284-I341 HydrophobicContact CE1-CG2 4.25Å
285	K	98.7	Very high	97.6	Very high	71 Å²	71	34 Å²	34	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-60.8	-45.2	170.3	-78.8	171.6	176.8	164.9	0	111.3	Y248 D281 V283 S288 L289 I315	Y248-K285 HydrophobicContact CD2-CG 4.48Å; Y248-K285 HydrophobicContact CE1-CG 4Å; Y248-K285 HydrophobicContact CE2-CG 3.76Å; Y248-K285 WeakPolarHBondContact OH-CE 3.33Å; D281-K285 WeakPolarHBondContact O-CB 3.26Å; D281-K285 VanDerWaalsContact O-CG 3.31Å; D281-K285 WeakPolarHBondContact O-CG 3.49Å; D281-K285 PolarHBondContact O-N 3.48Å; D281-K285 WeakPolarHBondContact OD1-CE 3.25Å; D281-K285 IonicContact OD1-NZ 3.9Å; D281-K285 WeakPolarHBondContact OD2-CE 3.25Å; D281-K285 IonicContact OD2-NZ 2.74Å; D281-K285 PolarHBondContact OD2-NZ 3.44Å; V283-K285 PolarHBondContact O-N 3Å; K285-S288 PolarHBondContact O-N 2.92Å; K285-L289 WeakPolarHBondContact O-CB 3.33Å; K285-L289 VanDerWaalsContact O-CG 3.24Å; K285-L289 WeakPolarHBondContact O-CG 3.39Å; K285-L289 PolarHBondContact O-N 2.99Å; K285-I315 HydrophobicContact CG-CD1 4.45Å
286	H	98.6	Very high	98	Very high	45 Å²	45	31.9 Å²	31.9	21%	0.208	16%	0.163	C	C	.	.	H	α-helix	trans	-59.5	-50.6	176.4	172.2	81.8	0	0	0	112	D282 V283 F284 S288 L289 V290 E373 L417	D282-H286 WeakPolarHBondContact O-CB 3.42Å; D282-H286 PolarHBondContact O-N 3.44Å; V283-H286 WeakPolarHBondContact O-CB 3.29Å; V283-H286 PolarHBondContact O-N 3.3Å; V283-H286 VanDerWaalsContact O-N 3.15Å; F284-H286 VanDerWaalsContact C-N 3.35Å; H286-S288 VanDerWaalsContact C-N 3.28Å; H286-S288 PolarHBondContact O-N 2.71Å; H286-L289 WeakPolarHBondContact O-CB 3.42Å; H286-L289 PolarHBondContact O-N 2.82Å; H286-L289 VanDerWaalsContact O-N 3.11Å; H286-V290 WeakPolarHBondContact O-CG2 3.4Å; H286-V290 PolarHBondContact O-N 3.39Å; H286-E373 IonicContact CD2-OE2 2.65Å; H286-E373 PolarHBondContact CD2-OE2 2.92Å; H286-E373 IonicContact CE1-OE2 3.34Å; H286-E373 IonicContact NE2-OE1 2.98Å; H286-E373 IonicContact NE2-OE2 2.78Å; H286-E373 PolarHBondContact NE2-OE2 3.09Å; H286-L417 HydrophobicContact CB-CD1 4.15Å; H286-L417 HydrophobicContact CB-CD2 3.85Å
287	L	98.8	Very high	98.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.4	-43.2	177.8	-70	175.7	0	0	0	111.9	L235 V283 F284 V290 Y291 M339 F370 E373 I415	L235-L287 HydrophobicContact CD1-CD1 3.82Å; L235-L287 HydrophobicContact CD1-CD2 3.95Å; L235-L287 HydrophobicContact CD1-CG 4.49Å; V283-L287 HydrophobicContact CG1-CD1 4.03Å; V283-L287 HydrophobicContact CG1-CG 4.21Å; V283-L287 VanDerWaalsContact O-CG 3.31Å; V283-L287 WeakPolarHBondContact O-CG 3.33Å; V283-L287 PolarHBondContact O-N 3.01Å; F284-L287 HydrophobicContact CD1-CD1 4.4Å; F284-L287 PolarHBondContact O-N 3.48Å; L287-V290 PolarHBondContact O-N 3.49Å; L287-Y291 PolarHBondContact O-N 3.43Å; L287-M339 HydrophobicContact CD1-CB 3.99Å; L287-M339 HydrophobicContact CD1-SD 4.1Å; L287-F370 HydrophobicContact CB-CE2 4.21Å; L287-E373 HydrophobicContact CD2-CB 3.5Å; L287-E373 VanDerWaalsContact CD2-CB 3.5Å; L287-E373 HydrophobicContact CD2-CG 3.92Å; L287-I415 HydrophobicContact CD2-CD1 4.43Å
288	S	98.8	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-41.4	177.2	-55.6	0	0	0	0	112	Y248 F284 K285 H286 Y291 A292	Y248-S288 WeakPolarHBondContact CB-OG 2.98Å; Y248-S288 WeakPolarHBondContact CD1-OG 3.15Å; F284-S288 WeakPolarHBondContact O-CB 3.25Å; F284-S288 PolarHBondContact O-N 2.71Å; F284-S288 PolarHBondContact O-OG 3.03Å; K285-S288 PolarHBondContact O-N 2.92Å; H286-S288 VanDerWaalsContact C-N 3.28Å; H286-S288 PolarHBondContact O-N 2.71Å; S288-Y291 PolarHBondContact O-N 2.84Å; S288-A292 WeakPolarHBondContact O-CB 3.26Å; S288-A292 PolarHBondContact O-N 2.87Å
289	L	98.8	Very high	98.3	Very high	28 Å²	28	32.1 Å²	32.1	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-37.4	176.1	-74.3	168.6	0	0	0	112.3	K285 H286 Y291 A292 R293 N313 I315	K285-L289 WeakPolarHBondContact O-CB 3.33Å; K285-L289 VanDerWaalsContact O-CG 3.24Å; K285-L289 WeakPolarHBondContact O-CG 3.39Å; K285-L289 PolarHBondContact O-N 2.99Å; H286-L289 WeakPolarHBondContact O-CB 3.42Å; H286-L289 PolarHBondContact O-N 2.82Å; H286-L289 VanDerWaalsContact O-N 3.11Å; L289-Y291 VanDerWaalsContact C-N 3.29Å; L289-Y291 PolarHBondContact O-N 3.02Å; L289-A292 PolarHBondContact O-N 3.36Å; L289-R293 WeakPolarHBondContact O-CB 3.46Å; L289-R293 VanDerWaalsContact O-CG 3.22Å; L289-R293 WeakPolarHBondContact O-CG 3.31Å; L289-R293 PolarHBondContact O-N 3.29Å; L289-N313 HydrophobicContact CD2-CB 3.83Å; L289-I315 HydrophobicContact CD1-CD1 4.46Å; L289-I315 HydrophobicContact CD2-CD1 3.94Å; L289-I315 HydrophobicContact CD2-CG2 4.01Å; L289-I315 HydrophobicContact CG-CD1 3.9Å; L289-I315 HydrophobicContact CG-CG2 4.24Å
290	V	98.6	Very high	98.3	Very high	18 Å²	18	38.1 Å²	38.1	11%	0.109	18%	0.18	C	C	.	.	H	α-helix	trans	-57.7	-46.8	174.8	168.5	0	0	0	0	109.7	H286 L287 N294 K369 E373	H286-V290 WeakPolarHBondContact O-CG2 3.4Å; H286-V290 PolarHBondContact O-N 3.39Å; L287-V290 PolarHBondContact O-N 3.49Å; V290-N294 PolarHBondContact O-N 2.86Å; V290-N294 PolarHBondContact O-ND2 3.34Å; V290-K369 HydrophobicContact CG1-CB 4.26Å; V290-E373 HydrophobicContact CB-CG 4.43Å; V290-E373 HydrophobicContact CG1-CG 4.07Å; V290-E373 HydrophobicContact CG2-CG 4.14Å
291	Y	98.8	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.4	-52.8	176.6	-164.2	-81.9	0	0	0	111.9	L287 S288 L289 R293 N294 H295 M298 L343 I345 N363 S366 L367 F370	L287-Y291 PolarHBondContact O-N 3.43Å; S288-Y291 PolarHBondContact O-N 2.84Å; L289-Y291 VanDerWaalsContact C-N 3.29Å; L289-Y291 PolarHBondContact O-N 3.02Å; Y291-R293 PolarHBondContact O-N 3.35Å; Y291-N294 PolarHBondContact O-N 3.35Å; Y291-H295 PolarHBondContact O-N 2.57Å; Y291-H295 VanDerWaalsContact O-N 3.09Å; Y291-M298 HydrophobicContact CD1-CE 3.98Å; Y291-M298 HydrophobicContact CD1-SD 3.91Å; Y291-M298 HydrophobicContact CE1-CE 3.8Å; Y291-M298 HydrophobicContact CE1-SD 4.35Å; Y291-L343 HydrophobicContact CD1-CD2 3.65Å; Y291-L343 HydrophobicContact CD2-CD1 3.69Å; Y291-L343 HydrophobicContact CD2-CD2 3.68Å; Y291-L343 HydrophobicContact CD2-CG 4.32Å; Y291-L343 HydrophobicContact CE1-CD2 4.03Å; Y291-L343 HydrophobicContact CE2-CD1 3.42Å; Y291-L343 VanDerWaalsContact CE2-CD1 3.42Å; Y291-L343 HydrophobicContact CE2-CD2 4.05Å; Y291-L343 HydrophobicContact CE2-CG 4.28Å; Y291-L343 HydrophobicContact CG-CD1 4.36Å; Y291-L343 HydrophobicContact CG-CD2 3.46Å; Y291-L343 VanDerWaalsContact CG-CD2 3.46Å; Y291-I345 HydrophobicContact CE1-CG2 4.11Å; Y291-I345 WeakPolarHBondContact OH-CG2 3.49Å; Y291-N363 PolarHBondContact OH-OD1 3.14Å; Y291-S366 WeakPolarHBondContact O-CB 3.37Å; Y291-S366 PolarHBondContact O-OG 3.45Å; Y291-L367 HydrophobicContact CE2-CD2 3.94Å; Y291-L367 HydrophobicContact CE2-CG 4.23Å; Y291-F370 HydrophobicContact CD2-CB 4.05Å; Y291-F370 HydrophobicContact CD2-CG 4.35Å
292	A	98.8	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.9	-36.6	-172.4	0	0	0	0	0	113.7	S288 L289 H295 M298 S299 I315	S288-A292 WeakPolarHBondContact O-CB 3.26Å; S288-A292 PolarHBondContact O-N 2.87Å; L289-A292 PolarHBondContact O-N 3.36Å; A292-H295 PolarHBondContact O-N 3.06Å; A292-M298 HydrophobicContact CB-CB 4.34Å; A292-M298 HydrophobicContact CB-CG 3.9Å; A292-M298 HydrophobicContact CB-SD 3.73Å; A292-S299 VanDerWaalsContact O-CB 3.25Å; A292-S299 WeakPolarHBondContact O-CB 3.32Å; A292-S299 PolarHBondContact O-N 2.81Å; A292-S299 VanDerWaalsContact O-N 3.11Å; A292-S299 PolarHBondContact O-OG 3.32Å; A292-I315 HydrophobicContact CB-CG2 3.98Å
293	R	98.6	Very high	97.2	Very high	160 Å²	160	40.8 Å²	40.8	60%	0.604	20%	0.204	S	C	*	.	H	α-helix	trans	-74.8	-31.9	179.4	-70.7	175	174.4	166.5	-0.8	113.2	L289 Y291 H295	L289-R293 WeakPolarHBondContact O-CB 3.46Å; L289-R293 VanDerWaalsContact O-CG 3.22Å; L289-R293 WeakPolarHBondContact O-CG 3.31Å; L289-R293 PolarHBondContact O-N 3.29Å; Y291-R293 PolarHBondContact O-N 3.35Å; R293-H295 VanDerWaalsContact C-N 3.29Å
294	N	98.7	Very high	96.9	Very high	54 Å²	54	42.9 Å²	42.9	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-82.2	-12.1	174.8	-73.4	-77.7	0	0	0	112.4	V290 Y291 L365 S366	V290-N294 PolarHBondContact O-N 2.86Å; V290-N294 PolarHBondContact O-ND2 3.34Å; Y291-N294 PolarHBondContact O-N 3.35Å; N294-L365 HydrophobicContact CB-CD2 4.38Å; N294-L365 HydrophobicContact CB-CG 4.2Å; N294-S366 PolarHBondContact O-OG 2.81Å
295	H	98.7	Very high	96.3	Very high	6 Å²	6	47 Å²	47	3%	0.028	24%	0.236	C	C	.	.	S	Bend	trans	-82.5	137.9	177.7	-175.8	-87.3	0	0	0	108.9	Y291 A292 R293 K297 M298 D362 N363 S366	Y291-H295 PolarHBondContact O-N 2.57Å; Y291-H295 VanDerWaalsContact O-N 3.09Å; A292-H295 PolarHBondContact O-N 3.06Å; R293-H295 VanDerWaalsContact C-N 3.29Å; H295-K297 PolarHBondContact ND1-N 2.94Å; H295-K297 PolarHBondContact O-N 3.43Å; H295-M298 HydrophobicContact CB-CB 3.74Å; H295-M298 WeakPolarHBondContact ND1-CB 3.49Å; H295-M298 PolarHBondContact ND1-N 3.39Å; H295-M298 VanDerWaalsContact ND1-N 3.11Å; H295-D362 WeakPolarHBondContact CA-O 3.29Å; H295-D362 PolarHBondContact CD2-O 3.26Å; H295-N363 VanDerWaalsContact CD2-CG 3.48Å; H295-N363 PolarHBondContact CD2-OD1 3.32Å; H295-N363 PolarHBondContact NE2-ND2 2.93Å; H295-N363 PolarHBondContact NE2-OD1 3.43Å; H295-S366 WeakPolarHBondContact CA-OG 3.42Å; H295-S366 WeakPolarHBondContact CB-OG 3.44Å; H295-S366 PolarHBondContact N-OG 3.24Å
296	A	97.8	Very high	95.4	Very high	44 Å²	44	50.4 Å²	50.4	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29	-170.2	0	0	0	0	0	115	R300 D362	A296-R300 PolarHBondContact O-NE 3.49Å; A296-R300 PolarHBondContact O-NH2 3.4Å; A296-D362 HydrophobicContact CB-CB 3.94Å; A296-D362 WeakPolarHBondContact CB-OD1 3.47Å; A296-D362 PolarHBondContact N-O 3.18Å
297	K	96.7	Very high	94.4	Very high	79 Å²	79	53.1 Å²	53.1	34%	0.343	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-15.1	-173	-58	172.2	-170	137.2	0	115.7	L244 H295 S299 R300 D362	L244-K297 HydrophobicContact CD2-CB 4.28Å; H295-K297 PolarHBondContact ND1-N 2.94Å; H295-K297 PolarHBondContact O-N 3.43Å; K297-S299 PolarHBondContact O-N 2.92Å; K297-R300 VanDerWaalsContact O-CB 3.31Å; K297-R300 WeakPolarHBondContact O-CB 3.12Å; K297-R300 WeakPolarHBondContact O-CG 3.31Å; K297-R300 PolarHBondContact O-N 2.75Å; K297-D362 IonicContact NZ-OD2 2.79Å; K297-D362 PolarHBondContact NZ-OD2 3.33Å
298	M	98.1	Very high	93.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-67.8	-45.5	-165.6	-177.5	-177.9	-72.6	0	0	110.7	L244 A246 Y291 A292 H295 R300 G301 G314 E344	L244-M298 HydrophobicContact CD1-CB 4.48Å; L244-M298 HydrophobicContact CD1-CE 3.96Å; L244-M298 HydrophobicContact CG-CB 4.23Å; L244-M298 HydrophobicContact CG-CE 4.5Å; L244-M298 HydrophobicContact CG-CG 4.31Å; A246-M298 HydrophobicContact CB-SD 4.12Å; Y291-M298 HydrophobicContact CD1-CE 3.98Å; Y291-M298 HydrophobicContact CD1-SD 3.91Å; Y291-M298 HydrophobicContact CE1-CE 3.8Å; Y291-M298 HydrophobicContact CE1-SD 4.35Å; A292-M298 HydrophobicContact CB-CB 4.34Å; A292-M298 HydrophobicContact CB-CG 3.9Å; A292-M298 HydrophobicContact CB-SD 3.73Å; H295-M298 HydrophobicContact CB-CB 3.74Å; H295-M298 WeakPolarHBondContact ND1-CB 3.49Å; H295-M298 PolarHBondContact ND1-N 3.39Å; H295-M298 VanDerWaalsContact ND1-N 3.11Å; M298-R300 PolarHBondContact O-N 2.74Å; M298-G301 PolarHBondContact O-N 2.79Å; M298-G314 WeakPolarHBondContact O-CA 3.35Å; M298-E344 VanDerWaalsContact CE-O 3.3Å; M298-E344 WeakPolarHBondContact CE-O 3.41Å
299	S	97.1	Very high	92.5	Very high	42 Å²	42	60.4 Å²	60.4	29%	0.294	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-58.5	-17.4	176.6	50.9	0	0	0	0	115.5	A292 K297 G301	A292-S299 VanDerWaalsContact O-CB 3.25Å; A292-S299 WeakPolarHBondContact O-CB 3.32Å; A292-S299 PolarHBondContact O-N 2.81Å; A292-S299 VanDerWaalsContact O-N 3.11Å; A292-S299 PolarHBondContact O-OG 3.32Å; K297-S299 PolarHBondContact O-N 2.92Å; S299-G301 PolarHBondContact O-N 2.8Å
300	R	96.1	Very high	92	Very high	171 Å²	171	62.3 Å²	62.3	65%	0.645	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17.9	174.7	-54.3	179.8	-164.6	177	4.8	112.1	A296 K297 M298 V302	A296-R300 PolarHBondContact O-NE 3.49Å; A296-R300 PolarHBondContact O-NH2 3.4Å; K297-R300 VanDerWaalsContact O-CB 3.31Å; K297-R300 WeakPolarHBondContact O-CB 3.12Å; K297-R300 WeakPolarHBondContact O-CG 3.31Å; K297-R300 PolarHBondContact O-N 2.75Å; M298-R300 PolarHBondContact O-N 2.74Å; R300-V302 HydrophobicContact CB-CG2 4.01Å; R300-V302 PolarHBondContact O-N 3.4Å
301	G	93.3	Very high	91.8	Very high	8 Å²	8	62.5 Å²	62.5	8%	0.082	36%	0.364	C	S	.	.			trans	67	15	177.7	0	0	0	0	0	114.9	M298 S299 A303 A310 F311	M298-G301 PolarHBondContact O-N 2.79Å; S299-G301 PolarHBondContact O-N 2.8Å; G301-A303 PolarHBondContact O-N 3.01Å; G301-A310 WeakPolarHBondContact O-CA 3.35Å; G301-A310 WeakPolarHBondContact O-CB 3.45Å; G301-F311 WeakPolarHBondContact CA-O 3.4Å; G301-F311 PolarHBondContact O-N 3.4Å
302	V	91.3	Very high	91.6	Very high	103 Å²	103	70 Å²	70	62%	0.624	40%	0.399	S	S	*	.			trans	-69.7	120.2	-179.1	-179.9	0	0	0	0	109	R300	R300-V302 HydrophobicContact CB-CG2 4.01Å; R300-V302 PolarHBondContact O-N 3.4Å
303	A	88.1	Confident	91.5	Very high	27 Å²	27	73.8 Å²	73.8	22%	0.223	42%	0.419	C	S	.	.			trans	-63.5	143	178.2	0	0	0	0	0	111.5	G301 K305 T308	G301-A303 PolarHBondContact O-N 3.01Å; A303-K305 VanDerWaalsContact C-N 3.25Å; A303-K305 PolarHBondContact O-N 3.37Å; A303-T308 VanDerWaalsContact CB-O 3.23Å; A303-T308 WeakPolarHBondContact CB-O 3.43Å
304	C	90.8	Very high	91.4	Very high	44 Å²	44	66.1 Å²	66.1	30%	0.297	39%	0.39	S	S	.	.	S	Bend	trans	-64.6	-30.5	178.1	-68.6	0	0	0	0	113.1	C347	C304-C347 WeakPolarHBondContact CA-SG 3.28Å; C304-C347 HydrophobicContact CB-CB 3.5Å; C304-C347 VanDerWaalsContact CB-CB 3.5Å; C304-C347 WeakPolarHBondContact CB-SG 3.45Å; C304-C347 WeakPolarHBondContact SG-CA 3.19Å; C304-C347 WeakPolarHBondContact SG-CB 3.47Å; C304-C347 CovalentContact SG-SG 2.03Å; C304-C347 PolarHBondContact SG-SG 2.74Å
305	K	87.4	Confident	91.4	Very high	87 Å²	87	64.7 Å²	64.7	38%	0.378	38%	0.382	S	S	.	.	S	Bend	trans	-128.2	145.2	178	-60.3	179.8	-176.8	-179.9	0	109.3	D189 A303 A307 T308	D189-K305 VanDerWaalsContact OD1-CE 3.28Å; D189-K305 WeakPolarHBondContact OD1-CE 3.44Å; D189-K305 IonicContact OD1-NZ 3.76Å; D189-K305 PolarHBondContact OD1-NZ 3.26Å; D189-K305 IonicContact OD2-NZ 3.62Å; D189-K305 PolarHBondContact OD2-NZ 2.9Å; A303-K305 VanDerWaalsContact C-N 3.25Å; A303-K305 PolarHBondContact O-N 3.37Å; K305-A307 PolarHBondContact O-N 3.16Å; K305-A307 VanDerWaalsContact O-N 3.07Å; K305-T308 HydrophobicContact CB-CG2 4.16Å; K305-T308 PolarHBondContact N-OG1 3.35Å; K305-T308 PolarHBondContact O-N 3.38Å; K305-T308 VanDerWaalsContact O-N 3.08Å; K305-T308 PolarHBondContact O-OG1 2.86Å
306	S	80.1	Confident	91.4	Very high	141 Å²	141	65.3 Å²	65.3	99%	0.986	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-21.4	-178.6	-51.5	0	0	0	0	114.2
307	A	76.4	Confident	91.4	Very high	102 Å²	102	63.4 Å²	63.4	84%	0.843	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-1.6	-179.8	0	0	0	0	0	114.2	K305	K305-A307 PolarHBondContact O-N 3.16Å; K305-A307 VanDerWaalsContact O-N 3.07Å
308	T	78.8	Confident	91.3	Very high	63 Å²	63	59.8 Å²	59.8	39%	0.387	36%	0.355	S	S	.	.	S	Bend	trans	-99.2	145.2	178.8	49.3	0	0	0	0	111	A303 K305	A303-T308 VanDerWaalsContact CB-O 3.23Å; A303-T308 WeakPolarHBondContact CB-O 3.43Å; K305-T308 HydrophobicContact CB-CG2 4.16Å; K305-T308 PolarHBondContact N-OG1 3.35Å; K305-T308 PolarHBondContact O-N 3.38Å; K305-T308 VanDerWaalsContact O-N 3.08Å; K305-T308 PolarHBondContact O-OG1 2.86Å
309	P	78.6	Confident	91.1	Very high	90 Å²	90	59.7 Å²	59.7	58%	0.584	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-60.8	140.6	177.9	24.5	-32.4	0	0	0	111.1
310	A	89.1	Confident	90.8	Very high	68 Å²	68	59.1 Å²	59.1	56%	0.562	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-68.2	147	168.7	0	0	0	0	0	110.1	G301	G301-A310 WeakPolarHBondContact O-CA 3.35Å; G301-A310 WeakPolarHBondContact O-CB 3.45Å
311	F	94.3	Very high	90.6	Very high	23 Å²	23	54.2 Å²	54.2	10%	0.101	33%	0.334	C	S	.	.			trans	-100.9	103.1	174.8	-59.7	-68.8	0	0	0	109	A243 V245 G301 N313 G314 T316 W321	A243-F311 HydrophobicContact CB-CE2 4.46Å; V245-F311 HydrophobicContact CB-CB 4.23Å; V245-F311 HydrophobicContact CB-CD1 4.32Å; V245-F311 HydrophobicContact CB-CD2 3.52Å; V245-F311 HydrophobicContact CB-CE2 3.83Å; V245-F311 HydrophobicContact CB-CG 3.77Å; V245-F311 HydrophobicContact CB-CZ 4.35Å; V245-F311 HydrophobicContact CG1-CD2 4.01Å; V245-F311 HydrophobicContact CG1-CE1 4.4Å; V245-F311 HydrophobicContact CG1-CE2 3.77Å; V245-F311 HydrophobicContact CG1-CG 4.41Å; V245-F311 HydrophobicContact CG1-CZ 3.98Å; V245-F311 HydrophobicContact CG2-CB 3.69Å; V245-F311 HydrophobicContact CG2-CD1 3.78Å; V245-F311 HydrophobicContact CG2-CD2 3.82Å; V245-F311 HydrophobicContact CG2-CE1 4.32Å; V245-F311 HydrophobicContact CG2-CE2 4.35Å; V245-F311 HydrophobicContact CG2-CG 3.48Å; V245-F311 VanDerWaalsContact CG2-CG 3.48Å; G301-F311 WeakPolarHBondContact CA-O 3.4Å; G301-F311 PolarHBondContact O-N 3.4Å; F311-N313 PolarHBondContact O-N 3.29Å; F311-G314 WeakPolarHBondContact O-CA 3.26Å; F311-G314 PolarHBondContact O-N 3.31Å; F311-T316 HydrophobicContact CD1-CG2 4.18Å; F311-T316 HydrophobicContact CE1-CG2 4.1Å; F311-W321 AromaticContact CE1-CD1 3.95Å; F311-W321 HydrophobicContact CE1-CD2 4.09Å; F311-W321 HydrophobicContact CE1-CG 4Å; F311-W321 HydrophobicContact CZ-CD2 4.03Å; F311-W321 AromaticContact CZ-CE2 3.64Å; F311-W321 HydrophobicContact CZ-CG 4.32Å; F311-W321 HydrophobicContact CZ-CZ2 4Å; F311-W321 AromaticContact CZ-NE1 3.69Å
312	E	94.2	Very high	90.2	Very high	158 Å²	158	57.7 Å²	57.7	74%	0.738	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-55.1	129.7	179.9	-162.6	-170.4	153.5	0	0	110.6	G314 I315	E312-G314 PolarHBondContact O-N 2.85Å; E312-I315 PolarHBondContact O-N 3.3Å
313	N	96.9	Very high	90	Very high	78 Å²	78	54.7 Å²	54.7	42%	0.417	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	57.7	13.8	-174.4	-55.4	-63	0	0	0	115.2	L289 F311 I315	L289-N313 HydrophobicContact CD2-CB 3.83Å; F311-N313 PolarHBondContact O-N 3.29Å; N313-I315 VanDerWaalsContact C-N 3.33Å
314	G	97.7	Very high	90	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	71.9	21.9	179.2	0	0	0	0	0	114.8	V245 A246 M298 F311 E312	V245-G314 WeakPolarHBondContact CA-O 3.21Å; A246-G314 PolarHBondContact N-O 3.49Å; M298-G314 WeakPolarHBondContact O-CA 3.35Å; F311-G314 WeakPolarHBondContact O-CA 3.26Å; F311-G314 PolarHBondContact O-N 3.31Å; E312-G314 PolarHBondContact O-N 2.85Å
315	I	98.4	Very high	90.1	Very high	24 Å²	24	53.6 Å²	53.6	12%	0.123	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.7	178.9	71.8	172.8	0	0	0	111.5	A246 Y248 K285 L289 A292 E312 N313	A246-I315 HydrophobicContact CB-CG2 4.36Å; A246-I315 CarbonylContact O-C 3.57Å; A246-I315 VanDerWaalsContact O-CA 3.24Å; A246-I315 WeakPolarHBondContact O-CA 3.05Å; Y248-I315 HydrophobicContact CD1-CB 4.48Å; Y248-I315 HydrophobicContact CE1-CB 4.12Å; Y248-I315 HydrophobicContact CE1-CD1 3.95Å; Y248-I315 HydrophobicContact CE1-CG1 4.12Å; K285-I315 HydrophobicContact CG-CD1 4.45Å; L289-I315 HydrophobicContact CD1-CD1 4.46Å; L289-I315 HydrophobicContact CD2-CD1 3.94Å; L289-I315 HydrophobicContact CD2-CG2 4.01Å; L289-I315 HydrophobicContact CG-CD1 3.9Å; L289-I315 HydrophobicContact CG-CG2 4.24Å; A292-I315 HydrophobicContact CB-CG2 3.98Å; E312-I315 PolarHBondContact O-N 3.3Å; N313-I315 VanDerWaalsContact C-N 3.33Å
316	T	97.5	Very high	90.4	Very high	18 Å²	18	49.5 Å²	49.5	11%	0.11	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	149.2	170.9	-169.9	0	0	0	0	112.1	V245 A246 S247 Y248 F311 W321	V245-T316 HydrophobicContact CG1-CG2 4.38Å; V245-T316 HydrophobicContact CG2-CG2 3.69Å; A246-T316 PolarHBondContact O-N 3.13Å; S247-T316 CarbonylContact C-O 3.57Å; S247-T316 VanDerWaalsContact CA-O 3.26Å; S247-T316 WeakPolarHBondContact CA-O 3.19Å; Y248-T316 WeakPolarHBondContact CD1-O 3.16Å; Y248-T316 WeakPolarHBondContact CE1-O 3.44Å; Y248-T316 PolarHBondContact N-O 3.32Å; F311-T316 HydrophobicContact CD1-CG2 4.18Å; F311-T316 HydrophobicContact CE1-CG2 4.1Å; T316-W321 HydrophobicContact CG2-CB 3.92Å; T316-W321 HydrophobicContact CG2-CD2 4.27Å; T316-W321 HydrophobicContact CG2-CE3 3.93Å; T316-W321 HydrophobicContact CG2-CG 4.31Å
317	N	97.9	Very high	91.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.7	161.6	172.5	-99.4	0	0	0	108.5	Y248 P249 Y250 P275 S276 A319 A320 W321	Y248-N317 HydrophobicContact CD2-CB 4.37Å; Y248-N317 HydrophobicContact CE2-CB 3.74Å; Y248-N317 WeakPolarHBondContact O-CA 3.4Å; P249-N317 PolarHBondContact O-ND2 2.89Å; Y250-N317 PolarHBondContact N-ND2 3.15Å; P275-N317 WeakPolarHBondContact CA-OD1 3.33Å; S276-N317 PolarHBondContact N-OD1 3.15Å; S276-N317 PolarHBondContact O-ND2 2.95Å; N317-A319 PolarHBondContact OD1-N 2.82Å; N317-A320 HydrophobicContact CB-CB 3.89Å; N317-A320 PolarHBondContact O-N 2.77Å; N317-A320 PolarHBondContact OD1-N 2.98Å; N317-A320 VanDerWaalsContact OD1-N 3.07Å; N317-W321 PolarHBondContact O-N 3Å
318	G	95.5	Very high	92.3	Very high	3 Å²	3	38 Å²	38	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-52.2	-174.8	0	0	0	0	0	112.6	S247 Y248 A320 W321 Y322	S247-G318 WeakPolarHBondContact OG-CA 3.19Å; Y248-G318 PolarHBondContact O-N 3.26Å; G318-A320 VanDerWaalsContact C-N 3.3Å; G318-A320 PolarHBondContact O-N 3.41Å; G318-W321 WeakPolarHBondContact O-CB 3.17Å; G318-W321 PolarHBondContact O-N 3.17Å; G318-Y322 CarbonylContact O-C 3.51Å; G318-Y322 PolarHBondContact O-N 2.91Å; G318-Y322 VanDerWaalsContact O-O 3.07Å
319	A	93.4	Very high	93.2	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.8	-31.4	177.7	0	0	0	0	0	114.1	Y250 T253 A274 S276 N317 W321 P323	Y250-A319 WeakPolarHBondContact O-CB 3.2Å; Y250-A319 PolarHBondContact O-N 3.03Å; T253-A319 HydrophobicContact CG2-CB 3.83Å; A274-A319 CarbonylContact O-C 3.39Å; S276-A319 VanDerWaalsContact CB-CB 3.43Å; N317-A319 PolarHBondContact OD1-N 2.82Å; A319-W321 VanDerWaalsContact C-N 3.29Å; A319-P323 WeakPolarHBondContact O-CD 3.34Å
320	A	91.7	Very high	94.1	Very high	29 Å²	29	30.9 Å²	30.9	24%	0.24	17%	0.167	C	C	.	.	H	α-helix	trans	-70.3	-26	173.9	0	0	0	0	0	112.9	A273 P275 N317 G318	A273-A320 VanDerWaalsContact CB-O 3.32Å; A273-A320 WeakPolarHBondContact CB-O 3.35Å; P275-A320 HydrophobicContact CB-CB 4.39Å; P275-A320 HydrophobicContact CG-CB 4Å; N317-A320 HydrophobicContact CB-CB 3.89Å; N317-A320 PolarHBondContact O-N 2.77Å; N317-A320 PolarHBondContact OD1-N 2.98Å; N317-A320 VanDerWaalsContact OD1-N 3.07Å; G318-A320 VanDerWaalsContact C-N 3.3Å; G318-A320 PolarHBondContact O-N 3.41Å
321	W	91.7	Very high	94.5	Very high	68 Å²	68	27.8 Å²	27.8	26%	0.258	14%	0.141	S	C	.	.	H	α-helix	trans	-81.5	-59.4	173.9	-179.2	18.6	0	0	0	110.4	A243 V245 F311 T316 N317 G318 A319 E344	A243-W321 HydrophobicContact CB-CH2 3.65Å; A243-W321 HydrophobicContact CB-CZ2 3.84Å; V245-W321 HydrophobicContact CG1-CE3 4.4Å; V245-W321 HydrophobicContact CG1-CH2 4.2Å; V245-W321 HydrophobicContact CG1-CZ3 3.97Å; F311-W321 AromaticContact CE1-CD1 3.95Å; F311-W321 HydrophobicContact CE1-CD2 4.09Å; F311-W321 HydrophobicContact CE1-CG 4Å; F311-W321 HydrophobicContact CZ-CD2 4.03Å; F311-W321 AromaticContact CZ-CE2 3.64Å; F311-W321 HydrophobicContact CZ-CG 4.32Å; F311-W321 HydrophobicContact CZ-CZ2 4Å; F311-W321 AromaticContact CZ-NE1 3.69Å; T316-W321 HydrophobicContact CG2-CB 3.92Å; T316-W321 HydrophobicContact CG2-CD2 4.27Å; T316-W321 HydrophobicContact CG2-CE3 3.93Å; T316-W321 HydrophobicContact CG2-CG 4.31Å; N317-W321 PolarHBondContact O-N 3Å; G318-W321 WeakPolarHBondContact O-CB 3.17Å; G318-W321 PolarHBondContact O-N 3.17Å; A319-W321 VanDerWaalsContact C-N 3.29Å; W321-E344 HydrophobicContact CH2-CG 3.92Å; W321-E344 HydrophobicContact CZ3-CG 3.93Å
322	Y	84.1	Confident	94.7	Very high	82 Å²	82	26.7 Å²	26.7	32%	0.322	14%	0.136	S	C	.	.			trans	-160.1	129.6	168.6	60.7	-89.7	0	0	0	110.3	G318 L324	G318-Y322 CarbonylContact O-C 3.51Å; G318-Y322 PolarHBondContact O-N 2.91Å; G318-Y322 VanDerWaalsContact O-O 3.07Å; Y322-L324 HydrophobicContact CD2-CB 4.43Å; Y322-L324 HydrophobicContact CE2-CB 4.2Å; Y322-L324 HydrophobicContact CE2-CD1 4.11Å; Y322-L324 PolarHBondContact O-N 3.49Å
323	P	87.4	Confident	94.9	Very high	40 Å²	40	19.2 Å²	19.2	26%	0.26	10%	0.101	S	C	.	.			trans	-61.7	131	177.5	-25.5	34.9	0	0	0	113.1	D251 A319	D251-P323 CarbonylContact O-C 3.49Å; D251-P323 WeakPolarHBondContact O-CA 3.25Å; A319-P323 WeakPolarHBondContact O-CD 3.34Å
324	L	88.1	Confident	94.9	Very high	5 Å²	5	15.9 Å²	15.9	3%	0.026	8%	0.083	C	C	.	.			trans	-129.6	119.4	-174.5	171.8	166.9	0	0	0	109.6	R204 D251 N252 Y322 G327	R204-L324 VanDerWaalsContact CZ-CD1 3.42Å; R204-L324 VanDerWaalsContact NH1-CG 3.32Å; D251-L324 HydrophobicContact CB-CB 4.11Å; D251-L324 HydrophobicContact CB-CD2 4.13Å; D251-L324 HydrophobicContact CB-CG 4.49Å; D251-L324 PolarHBondContact O-N 3.37Å; N252-L324 WeakPolarHBondContact CB-O 3.21Å; Y322-L324 HydrophobicContact CD2-CB 4.43Å; Y322-L324 HydrophobicContact CE2-CB 4.2Å; Y322-L324 HydrophobicContact CE2-CD1 4.11Å; Y322-L324 PolarHBondContact O-N 3.49Å; L324-G327 VanDerWaalsContact CD2-N 3.33Å
325	T	92.3	Very high	94.8	Very high	43 Å²	43	16.4 Å²	16.4	26%	0.264	9%	0.085	S	C	.	.	S	Bend	trans	-92.6	131.3	177.2	-58.8	0	0	0	0	111.9	R204 D208 K211 N252	R204-T325 WeakPolarHBondContact CA-O 3.29Å; R204-T325 VanDerWaalsContact CD-O 3.23Å; R204-T325 WeakPolarHBondContact CD-O 3.39Å; D208-T325 HydrophobicContact CB-CG2 3.86Å; D208-T325 VanDerWaalsContact OD2-CA 3.31Å; D208-T325 WeakPolarHBondContact OD2-CA 3.36Å; K211-T325 HydrophobicContact CB-CG2 4.27Å; N252-T325 PolarHBondContact ND2-OG1 2.7Å
326	G	94.6	Very high	94.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	77.1	37.4	172.3	0	0	0	0	0	114.5	N203 R204 N205 F206 D208	N203-G326 CarbonylContact C-O 3.52Å; R204-G326 CarbonylContact C-O 3.57Å; R204-G326 VanDerWaalsContact CA-O 3.23Å; R204-G326 WeakPolarHBondContact CA-O 3.22Å; N205-G326 PolarHBondContact N-O 3.33Å; F206-G326 WeakPolarHBondContact CB-O 3.44Å; F206-G326 PolarHBondContact N-O 3.35Å; F206-G326 WeakPolarHBondContact O-CA 3.39Å; D208-G326 PolarHBondContact OD2-N 3.24Å
327	G	96.8	Very high	94.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	9%	0.089	C	C	.	.			trans	-78.4	152.9	176.3	0	0	0	0	0	113.3	N203 L324 Q329 Y331	N203-G327 WeakPolarHBondContact OD1-CA 3.28Å; L324-G327 VanDerWaalsContact CD2-N 3.33Å; G327-Q329 VanDerWaalsContact C-N 3.32Å; G327-Y331 PolarHBondContact O-N 2.93Å
328	M	98.6	Very high	94.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.9	-35.4	176.8	-171.5	174.2	68.3	0	0	112.1	V129 I132 M175 N203 F206 V224 S238 Y331 N332 E340	V129-M328 HydrophobicContact CB-CE 3.9Å; V129-M328 HydrophobicContact CG1-CE 3.92Å; V129-M328 HydrophobicContact CG1-SD 4.41Å; V129-M328 HydrophobicContact CG2-CE 4.19Å; I132-M328 HydrophobicContact CD1-SD 4.34Å; M175-M328 HydrophobicContact SD-SD 4.12Å; N203-M328 PolarHBondContact OD1-N 2.9Å; F206-M328 HydrophobicContact CD2-CB 3.9Å; F206-M328 HydrophobicContact CD2-CG 4.47Å; F206-M328 HydrophobicContact CE1-CB 4.38Å; F206-M328 HydrophobicContact CE1-CG 3.94Å; F206-M328 HydrophobicContact CE2-CB 3.59Å; F206-M328 HydrophobicContact CE2-CG 3.86Å; F206-M328 HydrophobicContact CE2-SD 4.3Å; F206-M328 HydrophobicContact CG-CB 4.43Å; F206-M328 HydrophobicContact CZ-CB 3.84Å; F206-M328 HydrophobicContact CZ-CG 3.55Å; F206-M328 HydrophobicContact CZ-SD 3.87Å; V224-M328 HydrophobicContact CG1-SD 3.92Å; S238-M328 WeakPolarHBondContact OG-CE 3.29Å; M328-Y331 WeakPolarHBondContact O-CB 3.48Å; M328-Y331 PolarHBondContact O-N 3.39Å; M328-N332 WeakPolarHBondContact CG-ND2 3.42Å; M328-N332 PolarHBondContact O-N 2.9Å; M328-N332 PolarHBondContact O-ND2 3.41Å; M328-E340 VanDerWaalsContact C-OE1 3.28Å; M328-E340 WeakPolarHBondContact CE-OE1 3.27Å; M328-E340 WeakPolarHBondContact CG-OE1 3.39Å
329	Q	98.4	Very high	94.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-55.3	-176.7	-170.5	-167.1	-100.6	0	0	112.2	S247 P249 D251 G327 Y331 N332 Y333 E340 T342	S247-Q329 PolarHBondContact O-OE1 3.25Å; P249-Q329 HydrophobicContact CG-CG 3.75Å; D251-Q329 PolarHBondContact OD1-NE2 2.79Å; D251-Q329 PolarHBondContact OD2-NE2 3.34Å; G327-Q329 VanDerWaalsContact C-N 3.32Å; Q329-Y331 VanDerWaalsContact C-N 3.28Å; Q329-Y331 PolarHBondContact O-N 3Å; Q329-N332 PolarHBondContact O-N 3.32Å; Q329-Y333 PolarHBondContact O-N 2.9Å; Q329-E340 VanDerWaalsContact CA-OE1 3.26Å; Q329-E340 WeakPolarHBondContact CA-OE1 3.23Å; Q329-E340 HydrophobicContact CG-CB 4.28Å; Q329-E340 HydrophobicContact CG-CG 4.36Å; Q329-E340 VanDerWaalsContact CG-O 3.22Å; Q329-E340 WeakPolarHBondContact CG-O 3.49Å; Q329-E340 PolarHBondContact N-OE1 3.5Å; Q329-T342 VanDerWaalsContact OE1-CB 3.31Å; Q329-T342 PolarHBondContact OE1-OG1 3.29Å
330	D	98.1	Very high	94.9	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-64.9	-34.4	178.3	-73.3	5.7	0	0	0	111.5	Y250 D251 N252 Y333 V334	Y250-D330 WeakPolarHBondContact CA-OD1 3.49Å; Y250-D330 HydrophobicContact CD1-CB 4.41Å; D251-D330 PolarHBondContact N-OD1 3.38Å; D251-D330 PolarHBondContact N-OD2 2.74Å; N252-D330 PolarHBondContact N-OD2 3.42Å; D330-Y333 PolarHBondContact O-N 2.94Å; D330-V334 WeakPolarHBondContact O-CB 3.4Å; D330-V334 WeakPolarHBondContact O-CG2 3.42Å; D330-V334 PolarHBondContact O-N 2.82Å
331	Y	98	Very high	95.2	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-61.5	-46.6	177.9	178	-100.8	0	0	0	112.4	F206 P207 K225 I228 G327 M328 Q329 Y333 W335 Y336	F206-Y331 HydrophobicContact CB-CG 4.3Å; F206-Y331 AromaticContact CD1-CD1 3.63Å; F206-Y331 HydrophobicContact CD1-CD1 3.63Å; F206-Y331 HydrophobicContact CD1-CD2 4.44Å; F206-Y331 HydrophobicContact CD1-CE1 4.19Å; F206-Y331 AromaticContact CD1-CG 3.76Å; F206-Y331 HydrophobicContact CD1-CG 3.76Å; F206-Y331 HydrophobicContact CE1-CD1 4.07Å; F206-Y331 HydrophobicContact CE1-CE1 4.48Å; F206-Y331 HydrophobicContact CG-CG 4.44Å; P207-Y331 HydrophobicContact CB-CD2 4.16Å; P207-Y331 HydrophobicContact CB-CE2 4.28Å; P207-Y331 HydrophobicContact CG-CD2 4.07Å; P207-Y331 HydrophobicContact CG-CE2 3.83Å; K225-Y331 HydrophobicContact CB-CE1 4.33Å; K225-Y331 HydrophobicContact CG-CE1 3.73Å; I228-Y331 HydrophobicContact CD1-CD1 4.28Å; I228-Y331 HydrophobicContact CD1-CE1 4.25Å; G327-Y331 PolarHBondContact O-N 2.93Å; M328-Y331 WeakPolarHBondContact O-CB 3.48Å; M328-Y331 PolarHBondContact O-N 3.39Å; Q329-Y331 VanDerWaalsContact C-N 3.28Å; Q329-Y331 PolarHBondContact O-N 3Å; Y331-Y333 VanDerWaalsContact C-N 3.33Å; Y331-Y333 PolarHBondContact O-N 2.86Å; Y331-W335 HydrophobicContact CD2-CB 4.47Å; Y331-W335 AromaticContact CD2-CD2 3.68Å; Y331-W335 HydrophobicContact CD2-CD2 3.68Å; Y331-W335 AromaticContact CD2-CE3 3.45Å; Y331-W335 HydrophobicContact CD2-CE3 3.45Å; Y331-W335 VanDerWaalsContact CD2-CE3 3.45Å; Y331-W335 HydrophobicContact CD2-CG 4.14Å; Y331-W335 HydrophobicContact CD2-CH2 4.49Å; Y331-W335 AromaticContact CD2-CZ3 3.89Å; Y331-W335 HydrophobicContact CD2-CZ3 3.89Å; Y331-W335 HydrophobicContact CE2-CB 4.19Å; Y331-W335 AromaticContact CE2-CD2 3.79Å; Y331-W335 HydrophobicContact CE2-CD2 3.79Å; Y331-W335 HydrophobicContact CE2-CE3 4.07Å; Y331-W335 AromaticContact CE2-CG 3.85Å; Y331-W335 HydrophobicContact CE2-CG 3.85Å; Y331-W335 HydrophobicContact CG-CE3 4.16Å; Y331-W335 WeakPolarHBondContact O-CB 3.29Å; Y331-W335 PolarHBondContact O-N 2.82Å; Y331-W335 VanDerWaalsContact O-N 3.13Å; Y331-Y336 HydrophobicContact CE1-CD2 4.22Å; Y331-Y336 AromaticContact CE1-CE2 3.69Å; Y331-Y336 HydrophobicContact CE1-CE2 3.69Å; Y331-Y336 AromaticContact CZ-CE2 3.65Å; Y331-Y336 WeakPolarHBondContact OH-CE2 3.31Å; Y331-Y336 PolarHBondContact OH-OH 3.11Å
332	N	98.4	Very high	95.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-55.9	-47.9	177.6	-87.5	-82.8	0	0	0	112.1	K127 I228 M328 Q329 Y336 G337 C338 E340	K127-N332 PolarHBondContact NZ-OD1 3.4Å; I228-N332 WeakPolarHBondContact CD1-OD1 3.31Å; M328-N332 WeakPolarHBondContact CG-ND2 3.42Å; M328-N332 PolarHBondContact O-N 2.9Å; M328-N332 PolarHBondContact O-ND2 3.41Å; Q329-N332 PolarHBondContact O-N 3.32Å; N332-Y336 CarbonylContact O-C 3.47Å; N332-Y336 PolarHBondContact O-N 3.21Å; N332-G337 PolarHBondContact O-N 3.38Å; N332-C338 CarbonylContact C-O 3.53Å; N332-C338 VanDerWaalsContact C-O 3.32Å; N332-C338 HydrophobicContact CB-CB 4.11Å; N332-C338 PolarHBondContact O-N 3.39Å; N332-E340 HydrophobicContact CB-CB 3.79Å; N332-E340 PolarHBondContact ND2-OE1 3.08Å; N332-E340 PolarHBondContact ND2-OE2 2.92Å
333	Y	97.9	Very high	96.3	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-72.1	-48.8	-175.3	174.5	-116.3	0	0	0	112.3	Y250 T278 D280 F284 Q329 D330 Y331 G337 C338 V402	Y250-Y333 AromaticContact CE1-CD1 3.89Å; Y250-Y333 HydrophobicContact CE1-CD1 3.89Å; Y250-Y333 HydrophobicContact CE1-CE1 4.05Å; Y250-Y333 AromaticContact CZ-CE1 3.99Å; T278-Y333 HydrophobicContact CG2-CD1 4.23Å; T278-Y333 HydrophobicContact CG2-CE1 3.75Å; D280-Y333 HydrophobicContact CB-CE2 4.37Å; D280-Y333 PolarHBondContact OD2-OH 3.22Å; F284-Y333 HydrophobicContact CE2-CD1 4.17Å; F284-Y333 AromaticContact CE2-CD2 3.69Å; F284-Y333 HydrophobicContact CE2-CD2 3.69Å; F284-Y333 HydrophobicContact CE2-CE1 4.09Å; F284-Y333 AromaticContact CE2-CE2 3.57Å; F284-Y333 HydrophobicContact CE2-CE2 3.57Å; F284-Y333 AromaticContact CE2-CG 3.99Å; F284-Y333 HydrophobicContact CE2-CG 3.99Å; F284-Y333 AromaticContact CE2-CZ 3.8Å; F284-Y333 HydrophobicContact CZ-CD1 4.33Å; F284-Y333 AromaticContact CZ-CD2 3.53Å; F284-Y333 HydrophobicContact CZ-CD2 3.53Å; F284-Y333 AromaticContact CZ-CE2 3.91Å; F284-Y333 HydrophobicContact CZ-CE2 3.91Å; F284-Y333 AromaticContact CZ-CG 3.76Å; F284-Y333 HydrophobicContact CZ-CG 3.76Å; Q329-Y333 PolarHBondContact O-N 2.9Å; D330-Y333 PolarHBondContact O-N 2.94Å; Y331-Y333 VanDerWaalsContact C-N 3.33Å; Y331-Y333 PolarHBondContact O-N 2.86Å; Y333-G337 WeakPolarHBondContact O-CA 3.42Å; Y333-G337 PolarHBondContact O-N 3.38Å; Y333-C338 WeakPolarHBondContact CA-O 3.11Å; Y333-C338 PolarHBondContact N-O 3.07Å; Y333-V402 HydrophobicContact CD2-CG1 4.35Å; Y333-V402 HydrophobicContact CE1-CB 4.23Å; Y333-V402 HydrophobicContact CE1-CG1 4.17Å; Y333-V402 HydrophobicContact CE1-CG2 3.66Å; Y333-V402 HydrophobicContact CE2-CB 4.33Å; Y333-V402 HydrophobicContact CE2-CG1 3.97Å
334	V	96.4	Very high	96.8	Very high	8 Å²	8	7.6 Å²	7.6	5%	0.048	4%	0.04	C	C	.	.	H	α-helix	trans	-71.6	-42.4	-173.3	171.1	0	0	0	0	112.4	Y209 Y250 D330	Y209-V334 HydrophobicContact CD1-CG2 4.28Å; Y209-V334 HydrophobicContact CD2-CG1 3.48Å; Y209-V334 VanDerWaalsContact CD2-CG1 3.48Å; Y209-V334 HydrophobicContact CD2-CG2 4.33Å; Y209-V334 HydrophobicContact CE2-CG1 4.01Å; Y209-V334 HydrophobicContact CG-CG1 3.95Å; Y209-V334 HydrophobicContact CG-CG2 3.98Å; Y250-V334 HydrophobicContact CE1-CG2 3.71Å; D330-V334 WeakPolarHBondContact O-CB 3.4Å; D330-V334 WeakPolarHBondContact O-CG2 3.42Å; D330-V334 PolarHBondContact O-N 2.82Å
335	W	94.9	Very high	97.3	Very high	11 Å²	11	7.4 Å²	7.4	4%	0.042	4%	0.039	C	C	.	.	H	α-helix	trans	-87.5	-31.4	-174.7	-80.2	-95.2	0	0	0	113.5	P207 Y331 R490 P491	P207-W335 HydrophobicContact CB-CH2 3.85Å; P207-W335 HydrophobicContact CB-CZ2 3.72Å; Y331-W335 HydrophobicContact CD2-CB 4.47Å; Y331-W335 AromaticContact CD2-CD2 3.68Å; Y331-W335 HydrophobicContact CD2-CD2 3.68Å; Y331-W335 AromaticContact CD2-CE3 3.45Å; Y331-W335 HydrophobicContact CD2-CE3 3.45Å; Y331-W335 VanDerWaalsContact CD2-CE3 3.45Å; Y331-W335 HydrophobicContact CD2-CG 4.14Å; Y331-W335 HydrophobicContact CD2-CH2 4.49Å; Y331-W335 AromaticContact CD2-CZ3 3.89Å; Y331-W335 HydrophobicContact CD2-CZ3 3.89Å; Y331-W335 HydrophobicContact CE2-CB 4.19Å; Y331-W335 AromaticContact CE2-CD2 3.79Å; Y331-W335 HydrophobicContact CE2-CD2 3.79Å; Y331-W335 HydrophobicContact CE2-CE3 4.07Å; Y331-W335 AromaticContact CE2-CG 3.85Å; Y331-W335 HydrophobicContact CE2-CG 3.85Å; Y331-W335 HydrophobicContact CG-CE3 4.16Å; Y331-W335 WeakPolarHBondContact O-CB 3.29Å; Y331-W335 PolarHBondContact O-N 2.82Å; Y331-W335 VanDerWaalsContact O-N 3.13Å; W335-R490 PolarHBondContact O-NH2 2.86Å; W335-P491 HydrophobicContact CH2-CG 4.38Å; W335-P491 HydrophobicContact CZ2-CB 3.81Å; W335-P491 HydrophobicContact CZ2-CG 3.71Å; W335-P491 PolarHBondContact NE1-O 3.29Å
336	Y	94.5	Very high	97.5	Very high	56 Å²	56	5.4 Å²	5.4	22%	0.22	3%	0.026	C	C	.	.	H	α-helix	trans	-126	-5	-172.2	-61.7	-80.9	0	0	0	114.2	I228 S229 Y331 N332 C338	I228-Y336 HydrophobicContact CB-CD2 4.45Å; I228-Y336 HydrophobicContact CB-CE2 4.43Å; I228-Y336 HydrophobicContact CG2-CD1 4.26Å; I228-Y336 HydrophobicContact CG2-CD2 3.29Å; I228-Y336 HydrophobicContact CG2-CE2 3.69Å; I228-Y336 HydrophobicContact CG2-CG 3.59Å; S229-Y336 VanDerWaalsContact CB-OH 3.32Å; S229-Y336 WeakPolarHBondContact CB-OH 3.13Å; Y331-Y336 HydrophobicContact CE1-CD2 4.22Å; Y331-Y336 AromaticContact CE1-CE2 3.69Å; Y331-Y336 HydrophobicContact CE1-CE2 3.69Å; Y331-Y336 AromaticContact CZ-CE2 3.65Å; Y331-Y336 WeakPolarHBondContact OH-CE2 3.31Å; Y331-Y336 PolarHBondContact OH-OH 3.11Å; N332-Y336 CarbonylContact O-C 3.47Å; N332-Y336 PolarHBondContact O-N 3.21Å; Y336-C338 PolarHBondContact O-N 2.95Å
337	G	95.3	Very high	97.6	Very high	9 Å²	9	7.6 Å²	7.6	9%	0.093	4%	0.041	C	C	.	.			trans	72.8	3.9	-178.7	0	0	0	0	0	114.1	N332 Y333 M339 R414	N332-G337 PolarHBondContact O-N 3.38Å; Y333-G337 WeakPolarHBondContact O-CA 3.42Å; Y333-G337 PolarHBondContact O-N 3.38Å; G337-M339 PolarHBondContact O-N 2.79Å; G337-R414 PolarHBondContact O-NH1 2.86Å
338	C	97.9	Very high	97.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.			trans	-70	122.8	175.8	-179.6	0	0	0	0	109.3	K127 F233 N332 Y333 Y336 E340	K127-C338 PolarHBondContact NZ-SG 3.28Å; F233-C338 HydrophobicContact CB-CB 4.18Å; F233-C338 WeakPolarHBondContact CB-SG 3.29Å; F233-C338 WeakPolarHBondContact O-CA 3.47Å; F233-C338 WeakPolarHBondContact O-CB 3.35Å; F233-C338 PolarHBondContact O-SG 2.9Å; N332-C338 CarbonylContact C-O 3.53Å; N332-C338 VanDerWaalsContact C-O 3.32Å; N332-C338 HydrophobicContact CB-CB 4.11Å; N332-C338 PolarHBondContact O-N 3.39Å; Y333-C338 WeakPolarHBondContact CA-O 3.11Å; Y333-C338 PolarHBondContact N-O 3.07Å; Y336-C338 PolarHBondContact O-N 2.95Å; C338-E340 PolarHBondContact O-N 2.91Å; C338-E340 VanDerWaalsContact O-N 3.13Å
339	M	98.4	Very high	97.6	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.005	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	95.4	-179.5	-64.8	-172.2	176.7	0	0	109.7	V234 L235 S236 D280 V283 F284 L287 G337 R414 I415	V234-M339 PolarHBondContact O-N 2.95Å; L235-M339 HydrophobicContact CD1-CB 4.35Å; L235-M339 WeakPolarHBondContact CD1-O 3.43Å; S236-M339 PolarHBondContact N-O 3.37Å; D280-M339 HydrophobicContact CB-CE 4.38Å; V283-M339 HydrophobicContact CG1-CE 4.06Å; V283-M339 HydrophobicContact CG1-SD 3.53Å; V283-M339 VanDerWaalsContact CG1-SD 3.53Å; F284-M339 HydrophobicContact CE1-CB 3.88Å; F284-M339 HydrophobicContact CE1-CG 4.34Å; F284-M339 HydrophobicContact CZ-CB 4.1Å; F284-M339 HydrophobicContact CZ-CG 4.11Å; L287-M339 HydrophobicContact CD1-CB 3.99Å; L287-M339 HydrophobicContact CD1-SD 4.1Å; G337-M339 PolarHBondContact O-N 2.79Å; M339-R414 VanDerWaalsContact CE-NE 3.28Å; M339-I415 HydrophobicContact CE-CB 4.28Å; M339-I415 WeakPolarHBondContact CE-O 3.21Å; M339-I415 HydrophobicContact SD-CB 3.75Å; M339-I415 HydrophobicContact SD-CD1 4.1Å; M339-I415 HydrophobicContact SD-CG1 4.25Å
340	E	98.8	Very high	97.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.6	175.2	-168.5	162.4	92.1	0	0	111.6	K127 S236 F284 M328 Q329 N332 C338	K127-E340 IonicContact NZ-OE2 2.89Å; S236-E340 VanDerWaalsContact CB-OE2 3.26Å; S236-E340 WeakPolarHBondContact CB-OE2 3.39Å; S236-E340 VanDerWaalsContact O-CA 3.29Å; S236-E340 WeakPolarHBondContact O-CA 3.2Å; S236-E340 PolarHBondContact OG-OE2 3.48Å; F284-E340 WeakPolarHBondContact CE1-O 3.43Å; M328-E340 VanDerWaalsContact C-OE1 3.28Å; M328-E340 WeakPolarHBondContact CE-OE1 3.27Å; M328-E340 WeakPolarHBondContact CG-OE1 3.39Å; Q329-E340 VanDerWaalsContact CA-OE1 3.26Å; Q329-E340 WeakPolarHBondContact CA-OE1 3.23Å; Q329-E340 HydrophobicContact CG-CB 4.28Å; Q329-E340 HydrophobicContact CG-CG 4.36Å; Q329-E340 VanDerWaalsContact CG-O 3.22Å; Q329-E340 WeakPolarHBondContact CG-O 3.49Å; Q329-E340 PolarHBondContact N-OE1 3.5Å; N332-E340 HydrophobicContact CB-CB 3.79Å; N332-E340 PolarHBondContact ND2-OE1 3.08Å; N332-E340 PolarHBondContact ND2-OE2 2.92Å; C338-E340 PolarHBondContact O-N 2.91Å; C338-E340 VanDerWaalsContact O-N 3.13Å
341	I	98.9	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.5	164.8	65.9	170.1	0	0	0	110.7	S236 G237 S238 A246 F284 L343 F370	S236-I341 PolarHBondContact O-N 3.24Å; G237-I341 WeakPolarHBondContact CA-O 3.38Å; S238-I341 PolarHBondContact N-O 3.13Å; A246-I341 HydrophobicContact CB-CD1 4.49Å; F284-I341 HydrophobicContact CD1-CG2 3.76Å; F284-I341 HydrophobicContact CE1-CG2 4.25Å; I341-L343 HydrophobicContact CD1-CD2 3.65Å; I341-L343 HydrophobicContact CD1-CG 4.48Å; I341-L343 HydrophobicContact CG1-CD2 4Å; I341-L343 HydrophobicContact CG1-CG 4.33Å; I341-F370 HydrophobicContact CD1-CD2 4.06Å; I341-F370 HydrophobicContact CD1-CE2 3.35Å; I341-F370 HydrophobicContact CD1-CZ 4Å; I341-F370 HydrophobicContact CG1-CE2 3.62Å; I341-F370 HydrophobicContact CG1-CZ 3.71Å
342	T	98.9	Very high	97.6	Very high	7 Å²	7	10.3 Å²	10.3	4%	0.043	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.5	176.7	-59.3	0	0	0	0	109.6	S238 H240 A246 S247 Q329	S238-T342 CarbonylContact O-C 3.59Å; H240-T342 HydrophobicContact CB-CG2 4.43Å; H240-T342 VanDerWaalsContact CD2-CG2 3.48Å; H240-T342 WeakPolarHBondContact CD2-CG2 3.43Å; A246-T342 CarbonylContact C-O 3.51Å; S247-T342 PolarHBondContact N-O 3.18Å; S247-T342 PolarHBondContact O-N 3.37Å; Q329-T342 VanDerWaalsContact OE1-CB 3.31Å; Q329-T342 PolarHBondContact OE1-OG1 3.29Å
343	L	98.8	Very high	97.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	100	-175.3	-61	172.9	0	0	0	109	Y128 S238 L239 H240 A246 Y291 I341 I345	Y128-L343 HydrophobicContact CE1-CD1 3.97Å; S238-L343 PolarHBondContact O-N 3Å; L239-L343 WeakPolarHBondContact CA-O 3.12Å; L239-L343 HydrophobicContact CD1-CD1 4.24Å; L239-L343 HydrophobicContact CG-CB 4.48Å; L239-L343 HydrophobicContact CG-CD1 4.45Å; H240-L343 PolarHBondContact N-O 3.02Å; A246-L343 HydrophobicContact CB-CD2 4.03Å; Y291-L343 HydrophobicContact CD1-CD2 3.65Å; Y291-L343 HydrophobicContact CD2-CD1 3.69Å; Y291-L343 HydrophobicContact CD2-CD2 3.68Å; Y291-L343 HydrophobicContact CD2-CG 4.32Å; Y291-L343 HydrophobicContact CE1-CD2 4.03Å; Y291-L343 HydrophobicContact CE2-CD1 3.42Å; Y291-L343 VanDerWaalsContact CE2-CD1 3.42Å; Y291-L343 HydrophobicContact CE2-CD2 4.05Å; Y291-L343 HydrophobicContact CE2-CG 4.28Å; Y291-L343 HydrophobicContact CG-CD1 4.36Å; Y291-L343 HydrophobicContact CG-CD2 3.46Å; Y291-L343 VanDerWaalsContact CG-CD2 3.46Å; I341-L343 HydrophobicContact CD1-CD2 3.65Å; I341-L343 HydrophobicContact CD1-CG 4.48Å; I341-L343 HydrophobicContact CG1-CD2 4Å; I341-L343 HydrophobicContact CG1-CG 4.33Å; L343-I345 HydrophobicContact CB-CG2 3.95Å; L343-I345 PolarHBondContact O-N 3.45Å
344	E	98.5	Very high	97.5	Very high	11 Å²	11	19.9 Å²	19.9	5%	0.051	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	103.6	170.9	-62	-72.3	171.6	0	0	107.9	H240 G241 A243 L244 V245 M298 W321	H240-E344 HydrophobicContact CB-CG 4.42Å; H240-E344 WeakPolarHBondContact CB-OE1 3.5Å; H240-E344 VanDerWaalsContact CB-OE2 3.28Å; H240-E344 WeakPolarHBondContact CB-OE2 3.37Å; H240-E344 IonicContact CG-OE1 2.75Å; G241-E344 VanDerWaalsContact C-OE2 3.27Å; G241-E344 WeakPolarHBondContact CA-OE2 3.08Å; G241-E344 PolarHBondContact N-OE2 2.75Å; A243-E344 HydrophobicContact CB-CB 3.88Å; A243-E344 HydrophobicContact CB-CG 4.05Å; A243-E344 CarbonylContact O-C 3.5Å; A243-E344 WeakPolarHBondContact O-CB 3.38Å; L244-E344 VanDerWaalsContact CA-O 3.32Å; L244-E344 WeakPolarHBondContact CA-O 3.39Å; V245-E344 HydrophobicContact CG1-CB 3.92Å; V245-E344 HydrophobicContact CG1-CG 3.95Å; V245-E344 PolarHBondContact N-O 3.15Å; V245-E344 WeakPolarHBondContact O-CB 3.43Å; V245-E344 PolarHBondContact O-N 3.47Å; M298-E344 VanDerWaalsContact CE-O 3.3Å; M298-E344 WeakPolarHBondContact CE-O 3.41Å; W321-E344 HydrophobicContact CH2-CG 3.92Å; W321-E344 HydrophobicContact CZ3-CG 3.93Å
345	I	98.4	Very high	97.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-2.6	-166.3	62.2	160.2	0	0	0	114.2	V138 M142 L239 H240 Y291 L343 N363	V138-I345 HydrophobicContact CB-CD1 4.27Å; V138-I345 HydrophobicContact CG1-CD1 3.71Å; V138-I345 HydrophobicContact CG1-CG1 4.2Å; M142-I345 HydrophobicContact CB-CD1 4.44Å; M142-I345 HydrophobicContact CG-CD1 3.68Å; L239-I345 HydrophobicContact CD2-CD1 4.05Å; H240-I345 WeakPolarHBondContact O-CG1 3.1Å; H240-I345 PolarHBondContact O-N 3.18Å; Y291-I345 HydrophobicContact CE1-CG2 4.11Å; Y291-I345 WeakPolarHBondContact OH-CG2 3.49Å; L343-I345 HydrophobicContact CB-CG2 3.95Å; L343-I345 PolarHBondContact O-N 3.45Å; I345-N363 WeakPolarHBondContact CG2-OD1 3.23Å
346	S	97.6	Very high	97.8	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.007	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	131.3	179.8	66.1	0	0	0	0	111.9	V138 G242 A243 C348	V138-S346 WeakPolarHBondContact CG2-OG 3.38Å; G242-S346 PolarHBondContact N-O 3.03Å; A243-S346 PolarHBondContact N-O 3.15Å; A243-S346 CarbonylContact O-C 3.49Å; A243-S346 PolarHBondContact O-N 3.01Å; S346-C348 WeakPolarHBondContact CB-O 3.37Å; S346-C348 PolarHBondContact OG-O 3.05Å
347	C	95.8	Very high	98	Very high	46 Å²	46	24.5 Å²	24.5	31%	0.311	12%	0.121	S	C	.	.	S	Bend	trans	-64.9	-44.4	174.7	-69.9	0	0	0	0	112.2	G242 C304	G242-C347 CarbonylContact C-O 3.55Å; G242-C347 WeakPolarHBondContact CA-O 3.15Å; C304-C347 WeakPolarHBondContact CA-SG 3.28Å; C304-C347 HydrophobicContact CB-CB 3.5Å; C304-C347 VanDerWaalsContact CB-CB 3.5Å; C304-C347 WeakPolarHBondContact CB-SG 3.45Å; C304-C347 WeakPolarHBondContact SG-CA 3.19Å; C304-C347 WeakPolarHBondContact SG-CB 3.47Å; C304-C347 CovalentContact SG-SG 2.03Å; C304-C347 PolarHBondContact SG-SG 2.74Å
348	C	97.1	Very high	98.1	Very high	13 Å²	13	28.1 Å²	28.1	9%	0.088	13%	0.134	C	C	.	.	S	Bend	trans	-80.3	127.7	171.5	-179.1	0	0	0	0	108.5	C188 S346 F350 P351	C188-C348 WeakPolarHBondContact CA-SG 3.38Å; C188-C348 HydrophobicContact CB-CB 3.73Å; C188-C348 WeakPolarHBondContact CB-SG 3.49Å; C188-C348 WeakPolarHBondContact SG-CB 3.43Å; C188-C348 CovalentContact SG-SG 2.03Å; C188-C348 PolarHBondContact SG-SG 3.2Å; S346-C348 WeakPolarHBondContact CB-O 3.37Å; S346-C348 PolarHBondContact OG-O 3.05Å; C348-F350 VanDerWaalsContact SG-C 3.53Å; C348-P351 HydrophobicContact CB-CB 4.03Å; C348-P351 WeakPolarHBondContact SG-CA 3.24Å
349	K	97.7	Very high	98.2	Very high	13 Å²	13	29.5 Å²	29.5	6%	0.057	14%	0.139	C	C	.	.	S	Bend	trans	-61.8	-51	178.2	-70	-175	178.8	173.7	0	111.4	N135 E136 P137 C188 G523	N135-K349 CarbonylContact O-C 3.39Å; N135-K349 WeakPolarHBondContact O-CB 3.29Å; E136-K349 HydrophobicContact CG-CB 4.22Å; E136-K349 HydrophobicContact CG-CD 4.27Å; E136-K349 HydrophobicContact CG-CG 4.13Å; P137-K349 WeakPolarHBondContact CD-O 3.39Å; C188-K349 WeakPolarHBondContact O-CB 3.39Å; C188-K349 WeakPolarHBondContact O-CG 3.42Å; C188-K349 PolarHBondContact O-N 3.01Å; C188-K349 VanDerWaalsContact O-N 3.1Å; K349-G523 PolarHBondContact NZ-OXT 3.04Å
350	F	98.4	Very high	98.2	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.044	14%	0.143	C	C	.	.	S	Bend	trans	-125.5	78.5	178.8	-156.1	148.8	0	0	0	111	Y72 P137 K184 E185 G186 T187 C348	Y72-F350 AromaticContact CD1-CE2 3.95Å; Y72-F350 HydrophobicContact CD1-CE2 3.95Å; Y72-F350 HydrophobicContact CD1-CZ 4.43Å; Y72-F350 HydrophobicContact CD2-CD2 4.5Å; Y72-F350 AromaticContact CD2-CE2 3.59Å; Y72-F350 HydrophobicContact CD2-CE2 3.59Å; Y72-F350 HydrophobicContact CD2-CZ 4.38Å; Y72-F350 HydrophobicContact CE1-CD2 4.15Å; Y72-F350 AromaticContact CE1-CE2 3.76Å; Y72-F350 HydrophobicContact CE1-CE2 3.76Å; Y72-F350 AromaticContact CE2-CD2 3.87Å; Y72-F350 HydrophobicContact CE2-CD2 3.87Å; Y72-F350 AromaticContact CE2-CE2 3.39Å; Y72-F350 HydrophobicContact CE2-CE2 3.39Å; Y72-F350 AromaticContact CG-CE2 3.86Å; Y72-F350 HydrophobicContact CG-CE2 3.86Å; Y72-F350 HydrophobicContact CG-CZ 4.33Å; Y72-F350 AromaticContact CZ-CD2 3.65Å; Y72-F350 AromaticContact CZ-CE2 3.46Å; Y72-F350 VanDerWaalsContact CZ-CE2 3.46Å; P137-F350 HydrophobicContact CG-CB 4.23Å; P137-F350 HydrophobicContact CG-CD1 3.73Å; P137-F350 HydrophobicContact CG-CD2 3.53Å; P137-F350 HydrophobicContact CG-CE1 3.9Å; P137-F350 HydrophobicContact CG-CE2 3.75Å; P137-F350 HydrophobicContact CG-CG 3.55Å; P137-F350 HydrophobicContact CG-CZ 3.92Å; K184-F350 WeakPolarHBondContact O-CD1 3.39Å; E185-F350 VanDerWaalsContact CA-CD2 3.44Å; E185-F350 VanDerWaalsContact CA-CE2 3.44Å; E185-F350 HydrophobicContact CB-CD2 4.05Å; E185-F350 HydrophobicContact CB-CE2 3.63Å; E185-F350 HydrophobicContact CB-CZ 4.14Å; E185-F350 HydrophobicContact CG-CD2 4.2Å; E185-F350 HydrophobicContact CG-CE2 3.97Å; G186-F350 CarbonylContact C-O 3.55Å; G186-F350 VanDerWaalsContact CA-O 3.3Å; G186-F350 WeakPolarHBondContact CA-O 3.32Å; G186-F350 PolarHBondContact N-O 2.78Å; T187-F350 PolarHBondContact N-O 3.34Å; T187-F350 WeakPolarHBondContact O-CB 3.48Å; T187-F350 PolarHBondContact O-N 2.87Å; C348-F350 VanDerWaalsContact SG-C 3.53Å
351	P	98.3	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.165	C	C	.	.			trans	-68.6	162.2	-179.1	27.7	-31.8	0	0	0	112	Y72 V138 C348 E355 Y359	Y72-P351 WeakPolarHBondContact CE2-O 3.49Å; Y72-P351 VanDerWaalsContact CZ-O 3.29Å; Y72-P351 WeakPolarHBondContact OH-CD 3.39Å; Y72-P351 WeakPolarHBondContact OH-CG 3.4Å; Y72-P351 PolarHBondContact OH-O 3.43Å; V138-P351 VanDerWaalsContact CG2-CD 3.49Å; V138-P351 HydrophobicContact CG2-CG 3.55Å; C348-P351 HydrophobicContact CB-CB 4.03Å; C348-P351 WeakPolarHBondContact SG-CA 3.24Å; P351-E355 HydrophobicContact CB-CB 4.5Å; P351-Y359 HydrophobicContact CB-CE2 3.91Å; P351-Y359 HydrophobicContact CG-CD2 4.28Å; P351-Y359 HydrophobicContact CG-CE2 3.51Å
352	P	98.3	Very high	98.2	Very high	31 Å²	31	35.9 Å²	35.9	20%	0.201	17%	0.168	C	C	.	.			trans	-56.2	144.2	168.2	-26.1	36.1	0	0	0	112.9	E185 Y354 E355	E185-P352 VanDerWaalsContact OE1-CA 3.25Å; E185-P352 WeakPolarHBondContact OE1-CA 3.13Å; P352-Y354 HydrophobicContact CB-CD1 3.53Å; P352-Y354 HydrophobicContact CB-CE1 3.17Å; P352-Y354 HydrophobicContact CB-CG 4.41Å; P352-Y354 HydrophobicContact CG-CE1 3.78Å; P352-Y354 PolarHBondContact O-N 3.44Å; P352-Y354 VanDerWaalsContact O-N 3.15Å; P352-E355 WeakPolarHBondContact O-CB 3.24Å; P352-E355 PolarHBondContact O-N 3.22Å
353	A	98.1	Very high	98.1	Very high	18 Å²	18	35.6 Å²	35.6	15%	0.149	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-58.6	-31.7	-173.6	0	0	0	0	0	113.5	Y72 E185 E355 L356	Y72-A353 HydrophobicContact CD2-CB 3.79Å; Y72-A353 HydrophobicContact CE2-CB 3.88Å; E185-A353 PolarHBondContact OE1-N 3.42Å; A353-E355 PolarHBondContact O-N 2.99Å; A353-L356 HydrophobicContact CB-CD1 4.34Å; A353-L356 VanDerWaalsContact O-CB 3.3Å; A353-L356 WeakPolarHBondContact O-CB 3.37Å; A353-L356 WeakPolarHBondContact O-CG 3.33Å; A353-L356 PolarHBondContact O-N 3.28Å
354	Y	97.5	Very high	98.1	Very high	183 Å²	183	37.8 Å²	37.8	72%	0.718	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-61.2	-17.9	178.8	70.1	-104.7	0	0	0	113.3	P352	P352-Y354 HydrophobicContact CB-CD1 3.53Å; P352-Y354 HydrophobicContact CB-CE1 3.17Å; P352-Y354 HydrophobicContact CB-CG 4.41Å; P352-Y354 HydrophobicContact CG-CE1 3.78Å; P352-Y354 PolarHBondContact O-N 3.44Å; P352-Y354 VanDerWaalsContact O-N 3.15Å
355	E	98.1	Very high	98.1	Very high	57 Å²	57	41.4 Å²	41.4	27%	0.266	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-83.6	-16	176.2	-61.9	-172.7	-143.1	0	0	113.3	P351 P352 A353 K357 K358 Y359	P351-E355 HydrophobicContact CB-CB 4.5Å; P352-E355 WeakPolarHBondContact O-CB 3.24Å; P352-E355 PolarHBondContact O-N 3.22Å; A353-E355 PolarHBondContact O-N 2.99Å; E355-K357 VanDerWaalsContact C-N 3.27Å; E355-K357 PolarHBondContact O-N 3.35Å; E355-K358 WeakPolarHBondContact O-CA 3.5Å; E355-K358 VanDerWaalsContact O-CB 3.28Å; E355-K358 WeakPolarHBondContact O-CB 3.42Å; E355-K358 PolarHBondContact O-N 3.13Å; E355-Y359 HydrophobicContact CB-CD2 3.97Å; E355-Y359 HydrophobicContact CB-CE2 3.62Å; E355-Y359 VanDerWaalsContact O-CD2 3.26Å; E355-Y359 WeakPolarHBondContact O-CD2 3.46Å; E355-Y359 PolarHBondContact O-N 3.08Å; E355-Y359 VanDerWaalsContact O-N 3.07Å; E355-Y359 PolarHBondContact OE2-OH 3.45Å
356	L	98.6	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-39.6	-172.7	-71.9	174.7	0	0	0	112.8	F70 V71 Y72 E141 A353 K358 Y359 W360	F70-L356 HydrophobicContact CB-CB 4.21Å; F70-L356 HydrophobicContact CD1-CB 4.13Å; V71-L356 VanDerWaalsContact C-CD1 3.48Å; Y72-L356 HydrophobicContact CD1-CD1 4.12Å; Y72-L356 HydrophobicContact CD2-CD1 4.34Å; Y72-L356 HydrophobicContact CE1-CD1 4.03Å; Y72-L356 HydrophobicContact CE1-CD2 3.79Å; Y72-L356 HydrophobicContact CE1-CG 4.34Å; Y72-L356 HydrophobicContact CE2-CD1 4.24Å; Y72-L356 HydrophobicContact CG-CD1 4.29Å; E141-L356 HydrophobicContact CB-CD2 4.13Å; E141-L356 HydrophobicContact CG-CD1 4.11Å; E141-L356 HydrophobicContact CG-CD2 4.13Å; A353-L356 HydrophobicContact CB-CD1 4.34Å; A353-L356 VanDerWaalsContact O-CB 3.3Å; A353-L356 WeakPolarHBondContact O-CB 3.37Å; A353-L356 WeakPolarHBondContact O-CG 3.33Å; A353-L356 PolarHBondContact O-N 3.28Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 3.2Å; L356-Y359 PolarHBondContact O-N 3.25Å; L356-W360 PolarHBondContact O-N 2.92Å
357	K	98.1	Very high	98.2	Very high	115 Å²	115	41.4 Å²	41.4	50%	0.5	20%	0.196	S	C	.	.	H	α-helix	trans	-59.6	-40.9	174.7	-175.5	176.7	176	-178.7	0	112.1	F70 E355 W360 E361	F70-K357 HydrophobicContact CB-CB 4.28Å; F70-K357 HydrophobicContact CD1-CB 4.06Å; F70-K357 HydrophobicContact CD2-CB 3.86Å; F70-K357 HydrophobicContact CD2-CD 4.32Å; F70-K357 HydrophobicContact CD2-CG 4.02Å; F70-K357 HydrophobicContact CE1-CB 4.38Å; F70-K357 HydrophobicContact CE2-CB 4.18Å; F70-K357 HydrophobicContact CE2-CD 4.35Å; F70-K357 HydrophobicContact CE2-CG 3.91Å; F70-K357 HydrophobicContact CG-CB 3.79Å; F70-K357 HydrophobicContact CG-CG 4.42Å; F70-K357 HydrophobicContact CZ-CB 4.42Å; F70-K357 HydrophobicContact CZ-CG 4.23Å; E355-K357 VanDerWaalsContact C-N 3.27Å; E355-K357 PolarHBondContact O-N 3.35Å; K357-W360 PolarHBondContact O-N 3.43Å; K357-E361 WeakPolarHBondContact CE-OE1 3.45Å; K357-E361 WeakPolarHBondContact O-CG 3.22Å; K357-E361 PolarHBondContact O-N 2.99Å
358	K	98.5	Very high	98.4	Very high	84 Å²	84	39.6 Å²	39.6	37%	0.365	18%	0.183	S	C	.	.	H	α-helix	trans	-65.5	-41.3	177.7	-172.5	75.7	-135.7	78.6	0	111.1	E355 L356 W360 E361 D362	E355-K358 WeakPolarHBondContact O-CA 3.5Å; E355-K358 VanDerWaalsContact O-CB 3.28Å; E355-K358 WeakPolarHBondContact O-CB 3.42Å; E355-K358 PolarHBondContact O-N 3.13Å; L356-K358 VanDerWaalsContact C-N 3.29Å; L356-K358 PolarHBondContact O-N 3.2Å; K358-W360 VanDerWaalsContact C-N 3.34Å; K358-E361 IonicContact NZ-OE2 3.26Å; K358-E361 PolarHBondContact NZ-OE2 3.17Å; K358-E361 PolarHBondContact O-N 2.9Å; K358-D362 WeakPolarHBondContact CE-OD1 3.32Å; K358-D362 IonicContact NZ-OD1 2.86Å; K358-D362 PolarHBondContact NZ-OD1 3.45Å; K358-D362 IonicContact NZ-OD2 2.89Å; K358-D362 WeakPolarHBondContact O-CB 3.4Å; K358-D362 VanDerWaalsContact O-CG 3.28Å; K358-D362 PolarHBondContact O-N 2.86Å
359	Y	98.7	Very high	98.4	Very high	30 Å²	30	42.2 Å²	42.2	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-40.6	175	-74.4	-71.1	0	0	0	111.6	V138 M142 P351 E355 L356 D362 N363	V138-Y359 HydrophobicContact CG1-CD1 4Å; V138-Y359 HydrophobicContact CG1-CD2 4.24Å; V138-Y359 HydrophobicContact CG1-CG 3.77Å; M142-Y359 VanDerWaalsContact SD-C 3.52Å; P351-Y359 HydrophobicContact CB-CE2 3.91Å; P351-Y359 HydrophobicContact CG-CD2 4.28Å; P351-Y359 HydrophobicContact CG-CE2 3.51Å; E355-Y359 HydrophobicContact CB-CD2 3.97Å; E355-Y359 HydrophobicContact CB-CE2 3.62Å; E355-Y359 VanDerWaalsContact O-CD2 3.26Å; E355-Y359 WeakPolarHBondContact O-CD2 3.46Å; E355-Y359 PolarHBondContact O-N 3.08Å; E355-Y359 VanDerWaalsContact O-N 3.07Å; E355-Y359 PolarHBondContact OE2-OH 3.45Å; L356-Y359 PolarHBondContact O-N 3.25Å; Y359-D362 PolarHBondContact O-N 3.18Å; Y359-N363 WeakPolarHBondContact O-CB 3.33Å; Y359-N363 PolarHBondContact O-N 3.3Å; Y359-N363 PolarHBondContact O-ND2 3.46Å
360	W	98.7	Very high	98.5	Very high	24 Å²	24	41.6 Å²	41.6	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-51.6	175.1	171.2	-104.8	0	0	0	111.9	F70 M142 H145 L146 Y149 L356 K357 K358 D362 N363 Q364 L367	F70-W360 HydrophobicContact CE1-CB 3.52Å; F70-W360 AromaticContact CE1-CG 3.8Å; F70-W360 HydrophobicContact CE1-CG 3.8Å; F70-W360 HydrophobicContact CZ-CB 4.02Å; F70-W360 AromaticContact CZ-CD1 3.7Å; F70-W360 AromaticContact CZ-CG 3.89Å; F70-W360 HydrophobicContact CZ-CG 3.89Å; M142-W360 HydrophobicContact CE-CB 4.05Å; M142-W360 WeakPolarHBondContact SD-CA 3.3Å; M142-W360 HydrophobicContact SD-CB 3.93Å; M142-W360 HydrophobicContact SD-CE3 4.18Å; M142-W360 PolarHBondContact SD-N 3.38Å; H145-W360 HydrophobicContact CB-CD2 3.98Å; H145-W360 HydrophobicContact CB-CE3 3.65Å; H145-W360 HydrophobicContact CB-CH2 4.36Å; H145-W360 HydrophobicContact CB-CZ3 3.86Å; L146-W360 HydrophobicContact CB-CH2 4.24Å; L146-W360 HydrophobicContact CB-CZ3 4.03Å; L146-W360 HydrophobicContact CD1-CH2 4.11Å; L146-W360 HydrophobicContact CD1-CZ3 4.43Å; Y149-W360 HydrophobicContact CD2-CZ2 4.21Å; Y149-W360 HydrophobicContact CG-CH2 4.29Å; Y149-W360 AromaticContact CG-CZ2 3.98Å; Y149-W360 HydrophobicContact CG-CZ2 3.98Å; L356-W360 PolarHBondContact O-N 2.92Å; K357-W360 PolarHBondContact O-N 3.43Å; K358-W360 VanDerWaalsContact C-N 3.34Å; W360-D362 PolarHBondContact O-N 2.96Å; W360-N363 PolarHBondContact O-N 2.99Å; W360-N363 VanDerWaalsContact O-N 3.14Å; W360-Q364 HydrophobicContact CD2-CB 4.23Å; W360-Q364 HydrophobicContact CH2-CB 4.18Å; W360-Q364 HydrophobicContact CH2-CG 3.83Å; W360-Q364 HydrophobicContact CZ2-CB 3.9Å; W360-Q364 VanDerWaalsContact CZ2-CD 3.44Å; W360-Q364 HydrophobicContact CZ2-CG 3.43Å; W360-Q364 VanDerWaalsContact CZ2-CG 3.43Å; W360-Q364 HydrophobicContact CZ3-CB 4.48Å; W360-Q364 VanDerWaalsContact NE1-OE1 3.15Å; W360-Q364 VanDerWaalsContact O-CB 3.27Å; W360-Q364 WeakPolarHBondContact O-CB 3.46Å; W360-Q364 PolarHBondContact O-N 3.38Å; W360-L367 HydrophobicContact CZ3-CD1 4.37Å
361	E	98.6	Very high	98.5	Very high	99 Å²	99	41.1 Å²	41.1	46%	0.463	19%	0.188	S	C	.	.	H	α-helix	trans	-57.5	-37.5	176.6	-69.7	166.5	-178.9	0	0	112.5	K357 K358	K357-E361 WeakPolarHBondContact CE-OE1 3.45Å; K357-E361 WeakPolarHBondContact O-CG 3.22Å; K357-E361 PolarHBondContact O-N 2.99Å; K358-E361 IonicContact NZ-OE2 3.26Å; K358-E361 PolarHBondContact NZ-OE2 3.17Å; K358-E361 PolarHBondContact O-N 2.9Å
362	D	98.6	Very high	98.4	Very high	12 Å²	12	41.8 Å²	41.8	6%	0.064	19%	0.193	C	C	.	.	H	α-helix	trans	-72.5	-28.9	-179.1	-75.3	-4.8	0	0	0	112.3	H295 A296 K297 K358 Y359 W360	H295-D362 WeakPolarHBondContact CA-O 3.29Å; H295-D362 PolarHBondContact CD2-O 3.26Å; A296-D362 HydrophobicContact CB-CB 3.94Å; A296-D362 WeakPolarHBondContact CB-OD1 3.47Å; A296-D362 PolarHBondContact N-O 3.18Å; K297-D362 IonicContact NZ-OD2 2.79Å; K297-D362 PolarHBondContact NZ-OD2 3.33Å; K358-D362 WeakPolarHBondContact CE-OD1 3.32Å; K358-D362 IonicContact NZ-OD1 2.86Å; K358-D362 PolarHBondContact NZ-OD1 3.45Å; K358-D362 IonicContact NZ-OD2 2.89Å; K358-D362 WeakPolarHBondContact O-CB 3.4Å; K358-D362 VanDerWaalsContact O-CG 3.28Å; K358-D362 PolarHBondContact O-N 2.86Å; Y359-D362 PolarHBondContact O-N 3.18Å; W360-D362 PolarHBondContact O-N 2.96Å
363	N	98.8	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-106.6	-23.3	-172.5	-75	-85.5	0	0	0	115.2	Y291 H295 I345 Y359 W360 L365 S366 L367	Y291-N363 PolarHBondContact OH-OD1 3.14Å; H295-N363 VanDerWaalsContact CD2-CG 3.48Å; H295-N363 PolarHBondContact CD2-OD1 3.32Å; H295-N363 PolarHBondContact NE2-ND2 2.93Å; H295-N363 PolarHBondContact NE2-OD1 3.43Å; I345-N363 WeakPolarHBondContact CG2-OD1 3.23Å; Y359-N363 WeakPolarHBondContact O-CB 3.33Å; Y359-N363 PolarHBondContact O-N 3.3Å; Y359-N363 PolarHBondContact O-ND2 3.46Å; W360-N363 PolarHBondContact O-N 2.99Å; W360-N363 VanDerWaalsContact O-N 3.14Å; N363-L365 PolarHBondContact O-N 3.27Å; N363-S366 WeakPolarHBondContact O-CB 3.49Å; N363-S366 PolarHBondContact O-N 3.36Å; N363-L367 HydrophobicContact CB-CD1 4.12Å; N363-L367 HydrophobicContact CB-CG 4.45Å; N363-L367 WeakPolarHBondContact O-CG 3.28Å; N363-L367 PolarHBondContact O-N 3.28Å
364	Q	98.6	Very high	98.4	Very high	47 Å²	47	40.8 Å²	40.8	22%	0.22	18%	0.183	C	C	.	.	H	α-helix	trans	-51.7	-50.7	-169.4	176.2	-178.2	-3.1	0	0	112.4	W360 L367 I368	W360-Q364 HydrophobicContact CD2-CB 4.23Å; W360-Q364 HydrophobicContact CH2-CB 4.18Å; W360-Q364 HydrophobicContact CH2-CG 3.83Å; W360-Q364 HydrophobicContact CZ2-CB 3.9Å; W360-Q364 VanDerWaalsContact CZ2-CD 3.44Å; W360-Q364 HydrophobicContact CZ2-CG 3.43Å; W360-Q364 VanDerWaalsContact CZ2-CG 3.43Å; W360-Q364 HydrophobicContact CZ3-CB 4.48Å; W360-Q364 VanDerWaalsContact NE1-OE1 3.15Å; W360-Q364 VanDerWaalsContact O-CB 3.27Å; W360-Q364 WeakPolarHBondContact O-CB 3.46Å; W360-Q364 PolarHBondContact O-N 3.38Å; Q364-L367 PolarHBondContact O-N 3.43Å; Q364-I368 HydrophobicContact CG-CD1 4.11Å; Q364-I368 WeakPolarHBondContact O-CD1 3.36Å; Q364-I368 VanDerWaalsContact O-CG1 3.29Å; Q364-I368 WeakPolarHBondContact O-CG1 3.42Å; Q364-I368 PolarHBondContact O-N 2.81Å
365	L	98.6	Very high	98.3	Very high	87 Å²	87	33.4 Å²	33.4	46%	0.455	16%	0.155	S	C	.	.	H	α-helix	trans	-65.4	-41.4	-179.5	-176.1	62.1	0	0	0	111.8	N294 N363 I368 K369	N294-L365 HydrophobicContact CB-CD2 4.38Å; N294-L365 HydrophobicContact CB-CG 4.2Å; N363-L365 PolarHBondContact O-N 3.27Å; L365-I368 PolarHBondContact O-N 3.4Å; L365-K369 HydrophobicContact CD1-CG 3.87Å; L365-K369 HydrophobicContact CG-CG 4.11Å; L365-K369 WeakPolarHBondContact O-CB 3.38Å; L365-K369 VanDerWaalsContact O-CG 3.29Å; L365-K369 WeakPolarHBondContact O-CG 3.45Å; L365-K369 PolarHBondContact O-N 2.95Å
366	S	98.8	Very high	98.2	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-45.5	177.6	-63.9	0	0	0	0	112.9	Y291 N294 H295 N363 I368 K369 F370	Y291-S366 WeakPolarHBondContact O-CB 3.37Å; Y291-S366 PolarHBondContact O-OG 3.45Å; N294-S366 PolarHBondContact O-OG 2.81Å; H295-S366 WeakPolarHBondContact CA-OG 3.42Å; H295-S366 WeakPolarHBondContact CB-OG 3.44Å; H295-S366 PolarHBondContact N-OG 3.24Å; N363-S366 WeakPolarHBondContact O-CB 3.49Å; N363-S366 PolarHBondContact O-N 3.36Å; S366-I368 VanDerWaalsContact C-N 3.32Å; S366-I368 PolarHBondContact O-N 3.15Å; S366-K369 PolarHBondContact O-N 3.04Å; S366-F370 WeakPolarHBondContact O-CB 3.4Å; S366-F370 PolarHBondContact O-N 3.1Å
367	L	98.9	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-44.4	179.7	-70.7	165	0	0	0	111	Y128 M142 L146 L239 Y291 W360 N363 Q364 L371	Y128-L367 HydrophobicContact CE1-CD2 4.08Å; Y128-L367 HydrophobicContact CE2-CB 4.41Å; Y128-L367 HydrophobicContact CE2-CD2 3.95Å; Y128-L367 WeakPolarHBondContact OH-CA 3.42Å; Y128-L367 PolarHBondContact OH-O 2.87Å; M142-L367 HydrophobicContact CB-CD1 4.33Å; L146-L367 HydrophobicContact CD1-CB 4.3Å; L146-L367 HydrophobicContact CD2-CB 4.22Å; L239-L367 HydrophobicContact CD2-CD2 4.14Å; Y291-L367 HydrophobicContact CE2-CD2 3.94Å; Y291-L367 HydrophobicContact CE2-CG 4.23Å; W360-L367 HydrophobicContact CZ3-CD1 4.37Å; N363-L367 HydrophobicContact CB-CD1 4.12Å; N363-L367 HydrophobicContact CB-CG 4.45Å; N363-L367 WeakPolarHBondContact O-CG 3.28Å; N363-L367 PolarHBondContact O-N 3.28Å; Q364-L367 PolarHBondContact O-N 3.43Å; L367-L371 WeakPolarHBondContact O-CG 3.17Å; L367-L371 PolarHBondContact O-N 3.32Å
368	I	98.7	Very high	98	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-72.1	-45.5	-178.4	-56.1	165.8	0	0	0	110.7	L146 Y149 F150 Y159 L163 Q364 L365 S366 F370 L371 A372	L146-I368 HydrophobicContact CD1-CG1 4.13Å; Y149-I368 HydrophobicContact CD1-CD1 3.94Å; Y149-I368 HydrophobicContact CE1-CD1 3.47Å; Y149-I368 VanDerWaalsContact CE1-CD1 3.47Å; F150-I368 HydrophobicContact CE1-CG1 4.01Å; F150-I368 HydrophobicContact CE1-CG2 4.41Å; F150-I368 HydrophobicContact CZ-CG1 4.31Å; Y159-I368 HydrophobicContact CD1-CG2 3.87Å; Y159-I368 HydrophobicContact CE1-CG2 3.59Å; L163-I368 HydrophobicContact CD2-CG2 3.89Å; Q364-I368 HydrophobicContact CG-CD1 4.11Å; Q364-I368 WeakPolarHBondContact O-CD1 3.36Å; Q364-I368 VanDerWaalsContact O-CG1 3.29Å; Q364-I368 WeakPolarHBondContact O-CG1 3.42Å; Q364-I368 PolarHBondContact O-N 2.81Å; L365-I368 PolarHBondContact O-N 3.4Å; S366-I368 VanDerWaalsContact C-N 3.32Å; S366-I368 PolarHBondContact O-N 3.15Å; I368-F370 VanDerWaalsContact C-N 3.33Å; I368-F370 PolarHBondContact O-N 2.69Å; I368-L371 PolarHBondContact O-N 3.45Å; I368-A372 PolarHBondContact O-N 2.91Å
369	K	98.4	Very high	97.9	Very high	68 Å²	68	25.5 Å²	25.5	30%	0.296	12%	0.12	S	C	.	.	H	α-helix	trans	-65	-36.6	-179.4	-71.8	-63.5	-176.3	-172.1	0	112.6	Y159 V290 L365 S366 A372	Y159-K369 HydrophobicContact CE1-CD 4.18Å; V290-K369 HydrophobicContact CG1-CB 4.26Å; L365-K369 HydrophobicContact CD1-CG 3.87Å; L365-K369 HydrophobicContact CG-CG 4.11Å; L365-K369 WeakPolarHBondContact O-CB 3.38Å; L365-K369 VanDerWaalsContact O-CG 3.29Å; L365-K369 WeakPolarHBondContact O-CG 3.45Å; L365-K369 PolarHBondContact O-N 2.95Å; S366-K369 PolarHBondContact O-N 3.04Å; K369-A372 PolarHBondContact O-N 3.33Å
370	F	98.8	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.7	-48.7	175.7	177.3	-96.4	0	0	0	111.6	Y128 L235 S236 L287 Y291 I341 S366 I368 A372 E373	Y128-F370 AromaticContact CE1-CD1 3.92Å; Y128-F370 HydrophobicContact CE1-CD1 3.92Å; Y128-F370 HydrophobicContact CE1-CE1 4.08Å; Y128-F370 AromaticContact CZ-CD1 3.71Å; Y128-F370 WeakPolarHBondContact OH-CB 3.5Å; Y128-F370 WeakPolarHBondContact OH-CD1 3.16Å; L235-F370 HydrophobicContact CD1-CE1 4.03Å; L235-F370 HydrophobicContact CD1-CE2 4.07Å; L235-F370 HydrophobicContact CD1-CZ 3.55Å; L235-F370 HydrophobicContact CD2-CD1 4.02Å; L235-F370 HydrophobicContact CD2-CE1 3.81Å; L235-F370 HydrophobicContact CD2-CZ 4.08Å; L235-F370 WeakPolarHBondContact CD2-O 3.49Å; L235-F370 HydrophobicContact CG-CD1 4.39Å; L235-F370 HydrophobicContact CG-CE1 3.69Å; L235-F370 HydrophobicContact CG-CZ 3.78Å; S236-F370 VanDerWaalsContact O-CZ 3.3Å; S236-F370 WeakPolarHBondContact O-CZ 3.37Å; L287-F370 HydrophobicContact CB-CE2 4.21Å; Y291-F370 HydrophobicContact CD2-CB 4.05Å; Y291-F370 HydrophobicContact CD2-CG 4.35Å; I341-F370 HydrophobicContact CD1-CD2 4.06Å; I341-F370 HydrophobicContact CD1-CE2 3.35Å; I341-F370 HydrophobicContact CD1-CZ 4Å; I341-F370 HydrophobicContact CG1-CE2 3.62Å; I341-F370 HydrophobicContact CG1-CZ 3.71Å; S366-F370 WeakPolarHBondContact O-CB 3.4Å; S366-F370 PolarHBondContact O-N 3.1Å; I368-F370 VanDerWaalsContact C-N 3.33Å; I368-F370 PolarHBondContact O-N 2.69Å; F370-A372 PolarHBondContact O-N 2.77Å; F370-A372 VanDerWaalsContact O-N 3.17Å; F370-E373 WeakPolarHBondContact O-CB 3.35Å; F370-E373 PolarHBondContact O-N 3.32Å
371	L	98.7	Very high	97.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-57.8	-33	179.9	-69	169.9	0	0	0	113.3	V126 Y128 F150 L163 I169 L367 I368 E373 A374	V126-L371 HydrophobicContact CB-CD2 4.19Å; V126-L371 HydrophobicContact CG2-CD2 3.6Å; Y128-L371 HydrophobicContact CD2-CD1 4.26Å; Y128-L371 HydrophobicContact CD2-CD2 3.97Å; Y128-L371 HydrophobicContact CD2-CG 4.34Å; Y128-L371 HydrophobicContact CE2-CD1 3.67Å; Y128-L371 HydrophobicContact CE2-CD2 3.57Å; Y128-L371 HydrophobicContact CE2-CG 3.55Å; F150-L371 HydrophobicContact CE2-CD1 4.09Å; F150-L371 HydrophobicContact CZ-CD1 3.81Å; L163-L371 HydrophobicContact CD1-CB 4.39Å; L163-L371 HydrophobicContact CD2-CB 4.23Å; L163-L371 HydrophobicContact CD2-CD1 4.4Å; I169-L371 HydrophobicContact CD1-CD1 4Å; I169-L371 HydrophobicContact CG1-CD1 4.47Å; I169-L371 HydrophobicContact CG2-CD1 4.09Å; I169-L371 HydrophobicContact CG2-CD2 4.27Å; L367-L371 WeakPolarHBondContact O-CG 3.17Å; L367-L371 PolarHBondContact O-N 3.32Å; I368-L371 PolarHBondContact O-N 3.45Å; L371-E373 PolarHBondContact O-N 3.03Å; L371-A374 WeakPolarHBondContact O-CB 3.29Å; L371-A374 PolarHBondContact O-N 2.8Å
372	A	97	Very high	97.8	Very high	13 Å²	13	20.4 Å²	20.4	11%	0.107	10%	0.099	C	C	.	.	H	α-helix	trans	-66.3	-20.7	178.6	0	0	0	0	0	113.5	Y159 W162 L163 I368 K369 F370 A374 H375	Y159-A372 WeakPolarHBondContact OH-CB 3.49Å; W162-A372 HydrophobicContact CZ3-CB 4.29Å; L163-A372 HydrophobicContact CD1-CB 4.31Å; I368-A372 PolarHBondContact O-N 2.91Å; K369-A372 PolarHBondContact O-N 3.33Å; F370-A372 PolarHBondContact O-N 2.77Å; F370-A372 VanDerWaalsContact O-N 3.17Å; A372-A374 PolarHBondContact O-N 3.34Å; A372-A374 VanDerWaalsContact O-N 3.17Å; A372-H375 WeakPolarHBondContact O-CB 3.47Å; A372-H375 PolarHBondContact O-N 3.39Å
373	E	97.8	Very high	97.8	Very high	25 Å²	25	22.2 Å²	22.2	12%	0.117	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-67.1	-13.7	177.8	-67.8	-64.1	130.6	0	0	113.1	L235 H286 L287 V290 F370 L371 H375 R376	L235-E373 HydrophobicContact CD2-CB 4.22Å; H286-E373 IonicContact CD2-OE2 2.65Å; H286-E373 PolarHBondContact CD2-OE2 2.92Å; H286-E373 IonicContact CE1-OE2 3.34Å; H286-E373 IonicContact NE2-OE1 2.98Å; H286-E373 IonicContact NE2-OE2 2.78Å; H286-E373 PolarHBondContact NE2-OE2 3.09Å; L287-E373 HydrophobicContact CD2-CB 3.5Å; L287-E373 VanDerWaalsContact CD2-CB 3.5Å; L287-E373 HydrophobicContact CD2-CG 3.92Å; V290-E373 HydrophobicContact CB-CG 4.43Å; V290-E373 HydrophobicContact CG1-CG 4.07Å; V290-E373 HydrophobicContact CG2-CG 4.14Å; F370-E373 WeakPolarHBondContact O-CB 3.35Å; F370-E373 PolarHBondContact O-N 3.32Å; L371-E373 PolarHBondContact O-N 3.03Å; E373-H375 PolarHBondContact O-N 2.79Å; E373-R376 WeakPolarHBondContact O-CB 3.25Å; E373-R376 PolarHBondContact O-N 3.41Å; E373-R376 WeakPolarHBondContact OE2-CD 3.36Å; E373-R376 IonicContact OE2-CZ 3.71Å; E373-R376 IonicContact OE2-NE 2.67Å; E373-R376 PolarHBondContact OE2-NE 3.45Å; E373-R376 IonicContact OE2-NH2 3.78Å
374	A	97.3	Very high	97.7	Very high	3 Å²	3	24 Å²	24	3%	0.025	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-63	-17.6	169.6	0	0	0	0	0	113.4	P124 V126 V234 L235 L371 A372	P124-A374 HydrophobicContact CB-CB 4.47Å; P124-A374 HydrophobicContact CG-CB 4.38Å; V126-A374 HydrophobicContact CG1-CB 3.42Å; V126-A374 VanDerWaalsContact CG1-CB 3.42Å; V234-A374 HydrophobicContact CG1-CB 4.45Å; L235-A374 HydrophobicContact CB-CB 4.1Å; L235-A374 HydrophobicContact CD2-CB 4.3Å; L371-A374 WeakPolarHBondContact O-CB 3.29Å; L371-A374 PolarHBondContact O-N 2.8Å; A372-A374 PolarHBondContact O-N 3.34Å; A372-A374 VanDerWaalsContact O-N 3.17Å
375	H	96.2	Very high	97.7	Very high	28 Å²	28	25 Å²	25	13%	0.13	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-92.9	9.5	177.6	-65.9	-75.2	0	0	0	113.7	W162 N166 T167 A372 E373 P444	W162-H375 HydrophobicContact CH2-CB 4.17Å; W162-H375 AromaticContact CH2-CD2 3.69Å; W162-H375 AromaticContact CH2-CG 3.86Å; N166-H375 PolarHBondContact O-CE1 2.87Å; T167-H375 PolarHBondContact OG1-NE2 3.34Å; A372-H375 WeakPolarHBondContact O-CB 3.47Å; A372-H375 PolarHBondContact O-N 3.39Å; E373-H375 PolarHBondContact O-N 2.79Å; H375-P444 VanDerWaalsContact O-CB 3.29Å; H375-P444 WeakPolarHBondContact O-CB 3.24Å; H375-P444 VanDerWaalsContact O-CD 3.25Å; H375-P444 WeakPolarHBondContact O-CD 3.42Å; H375-P444 VanDerWaalsContact O-CG 3.25Å; H375-P444 WeakPolarHBondContact O-CG 3.47Å
376	R	95.3	Very high	97.6	Very high	48 Å²	48	24.9 Å²	24.9	18%	0.181	14%	0.138	C	C	.	.	S	Bend	trans	-98.4	157	176	171.9	-177.5	-63.8	-78.8	-0.6	110.9	E373 I415 L416	E373-R376 WeakPolarHBondContact O-CB 3.25Å; E373-R376 PolarHBondContact O-N 3.41Å; E373-R376 WeakPolarHBondContact OE2-CD 3.36Å; E373-R376 IonicContact OE2-CZ 3.71Å; E373-R376 IonicContact OE2-NE 2.67Å; E373-R376 PolarHBondContact OE2-NE 3.45Å; E373-R376 IonicContact OE2-NH2 3.78Å; R376-I415 HydrophobicContact CB-CG2 4.27Å; R376-I415 HydrophobicContact CG-CG2 4.28Å; R376-L416 WeakPolarHBondContact CD-O 3.3Å; R376-L416 VanDerWaalsContact CG-O 3.26Å; R376-L416 WeakPolarHBondContact CG-O 3.33Å
377	G	96.6	Very high	97.4	Very high	1 Å²	1	27 Å²	27	1%	0.01	16%	0.161	C	C	.	.	S	Bend	trans	94.4	-132.3	168.5	0	0	0	0	0	111.1	R414 I439 P444 T445	G377-R414 WeakPolarHBondContact CA-O 3.43Å; G377-I439 VanDerWaalsContact O-CD1 3.28Å; G377-I439 WeakPolarHBondContact O-CD1 3.12Å; G377-P444 CarbonylContact O-C 3.58Å; G377-P444 VanDerWaalsContact O-CA 3.25Å; G377-P444 WeakPolarHBondContact O-CA 3.43Å; G377-T445 PolarHBondContact O-N 3.07Å
378	V	97.2	Very high	97.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.2	-179.5	62	0	0	0	0	110.5	F412 W413 R414 L416 F437 I439 T445 L447	V378-F412 HydrophobicContact CG1-CE2 4.28Å; V378-F412 HydrophobicContact CG2-CE2 4.04Å; V378-F412 HydrophobicContact CG2-CZ 4.48Å; V378-W413 CarbonylContact O-C 3.27Å; V378-W413 WeakPolarHBondContact O-CA 3.48Å; V378-R414 HydrophobicContact CG1-CB 3.85Å; V378-R414 PolarHBondContact N-O 3.33Å; V378-R414 PolarHBondContact O-N 3.31Å; V378-L416 HydrophobicContact CG1-CD1 3.94Å; V378-F437 HydrophobicContact CB-CD2 4.19Å; V378-F437 HydrophobicContact CB-CE2 3.69Å; V378-F437 HydrophobicContact CB-CZ 4.33Å; V378-F437 HydrophobicContact CG1-CE2 3.8Å; V378-F437 HydrophobicContact CG1-CZ 3.98Å; V378-F437 HydrophobicContact CG2-CD2 4.12Å; V378-F437 HydrophobicContact CG2-CE2 4Å; V378-I439 HydrophobicContact CB-CD1 3.94Å; V378-T445 WeakPolarHBondContact CA-O 3.23Å; V378-T445 WeakPolarHBondContact CG2-O 3.44Å; V378-L447 HydrophobicContact CG2-CB 3.6Å; V378-L447 HydrophobicContact CG2-CD2 4.08Å; V378-L447 HydrophobicContact CG2-CG 4.5Å
379	Q	96.6	Very high	97.3	Very high	38 Å²	38	34.8 Å²	34.8	18%	0.178	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	158.1	168.4	64.3	-178.7	-23.7	0	0	110.3	F412 W413 P444 T445 L446 L447	Q379-F412 CarbonylContact C-O 3.59Å; Q379-F412 VanDerWaalsContact CA-O 3.23Å; Q379-F412 WeakPolarHBondContact CA-O 3.06Å; Q379-W413 VanDerWaalsContact CB-CD1 3.42Å; Q379-W413 HydrophobicContact CB-CG 4.14Å; Q379-P444 HydrophobicContact CG-CB 4.29Å; Q379-P444 VanDerWaalsContact NE2-CG 3.33Å; Q379-T445 PolarHBondContact N-O 3.08Å; Q379-T445 VanDerWaalsContact O-O 3.13Å; Q379-L446 HydrophobicContact CG-CD1 4.47Å; Q379-L446 CarbonylContact O-C 3.53Å; Q379-L446 VanDerWaalsContact O-CA 3.29Å; Q379-L446 WeakPolarHBondContact O-CA 3.48Å; Q379-L447 PolarHBondContact O-N 3.19Å
380	G	96.9	Very high	97.3	Very high	5 Å²	5	32.4 Å²	32.4	5%	0.052	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-156.6	173.5	0	0	0	0	0	112.6	E411 F412 L447	G380-E411 CarbonylContact O-C 3.48Å; G380-E411 VanDerWaalsContact O-CA 3.3Å; G380-E411 WeakPolarHBondContact O-CA 3.28Å; G380-F412 VanDerWaalsContact C-CE1 3.45Å; G380-F412 PolarHBondContact N-O 3.33Å; G380-F412 VanDerWaalsContact O-CD1 3.27Å; G380-F412 WeakPolarHBondContact O-CD1 3.41Å; G380-F412 PolarHBondContact O-N 2.59Å; G380-L447 WeakPolarHBondContact CA-O 3.4Å
381	F	98.1	Very high	97.2	Very high	41 Å²	41	37.9 Å²	37.9	18%	0.18	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.1	-168.3	-62.6	-96.1	0	0	0	112.4	V121 F383 G410 E411 L447 N448 V449	V121-F381 HydrophobicContact CG1-CE1 3.4Å; V121-F381 VanDerWaalsContact CG1-CE1 3.4Å; V121-F381 HydrophobicContact CG1-CZ 3.46Å; V121-F381 VanDerWaalsContact CG1-CZ 3.46Å; F381-F383 HydrophobicContact CB-CD2 3.95Å; F381-F383 HydrophobicContact CB-CE1 4.16Å; F381-F383 HydrophobicContact CB-CE2 3.24Å; F381-F383 HydrophobicContact CB-CZ 3.35Å; F381-F383 HydrophobicContact CD1-CE1 4.42Å; F381-F383 AromaticContact CD1-CZ 3.83Å; F381-F383 HydrophobicContact CD1-CZ 3.83Å; F381-F383 HydrophobicContact CD2-CZ 4.5Å; F381-F383 AromaticContact CG-CE2 3.93Å; F381-F383 HydrophobicContact CG-CE2 3.93Å; F381-F383 AromaticContact CG-CZ 3.66Å; F381-F383 HydrophobicContact CG-CZ 3.66Å; F381-G410 CarbonylContact C-O 3.49Å; F381-G410 VanDerWaalsContact CA-O 3.28Å; F381-G410 WeakPolarHBondContact CA-O 3.22Å; F381-E411 HydrophobicContact CD1-CG 3.81Å; F381-E411 HydrophobicContact CE1-CB 4.41Å; F381-E411 HydrophobicContact CE1-CG 3.34Å; F381-E411 HydrophobicContact CZ-CG 4.01Å; F381-L447 PolarHBondContact N-O 3.42Å; F381-N448 WeakPolarHBondContact CD2-OD1 3.29Å; F381-N448 PolarHBondContact N-OD1 2.78Å; F381-N448 VanDerWaalsContact N-OD1 3.14Å; F381-N448 CarbonylContact O-C 3.54Å; F381-N448 WeakPolarHBondContact O-CA 3.46Å; F381-V449 PolarHBondContact O-N 3.32Å
382	V	98.4	Very high	97	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.5	167.9	-172.8	0	0	0	0	109.4	I390 A393 I395 T406 G410 F412 V425 V449 L451	V382-I390 HydrophobicContact CG1-CB 4.17Å; V382-I390 HydrophobicContact CG1-CD1 4.21Å; V382-I390 PolarHBondContact O-N 2.86Å; V382-A393 HydrophobicContact CB-CB 4.43Å; V382-A393 HydrophobicContact CG1-CB 4.16Å; V382-I395 HydrophobicContact CG2-CD1 4.23Å; V382-T406 HydrophobicContact CB-CG2 3.94Å; V382-T406 HydrophobicContact CG2-CG2 3.51Å; V382-G410 PolarHBondContact N-O 2.97Å; V382-F412 HydrophobicContact CG2-CD1 4.08Å; V382-F412 HydrophobicContact CG2-CE1 4.2Å; V382-V425 HydrophobicContact CG1-CG1 3.97Å; V382-V425 HydrophobicContact CG2-CG1 4.01Å; V382-V449 CarbonylContact C-O 3.56Å; V382-V449 VanDerWaalsContact CA-O 3.27Å; V382-V449 WeakPolarHBondContact CA-O 3.25Å; V382-V449 HydrophobicContact CG2-CB 4.45Å; V382-L451 HydrophobicContact CG1-CD1 3.92Å; V382-L451 HydrophobicContact CG1-CG 3.88Å
383	F	98.2	Very high	97	Very high	50 Å²	50	44.9 Å²	44.9	22%	0.219	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.8	-178.2	-61.8	-65.8	0	0	0	112	F381 G387 M388 P389 I390 V449 T450 L451	F381-F383 HydrophobicContact CB-CD2 3.95Å; F381-F383 HydrophobicContact CB-CE1 4.16Å; F381-F383 HydrophobicContact CB-CE2 3.24Å; F381-F383 HydrophobicContact CB-CZ 3.35Å; F381-F383 HydrophobicContact CD1-CE1 4.42Å; F381-F383 AromaticContact CD1-CZ 3.83Å; F381-F383 HydrophobicContact CD1-CZ 3.83Å; F381-F383 HydrophobicContact CD2-CZ 4.5Å; F381-F383 AromaticContact CG-CE2 3.93Å; F381-F383 HydrophobicContact CG-CE2 3.93Å; F381-F383 AromaticContact CG-CZ 3.66Å; F381-F383 HydrophobicContact CG-CZ 3.66Å; F383-G387 WeakPolarHBondContact CD1-O 3.46Å; F383-M388 CarbonylContact C-O 3.53Å; F383-M388 VanDerWaalsContact CA-O 3.26Å; F383-M388 WeakPolarHBondContact CA-O 3.3Å; F383-P389 HydrophobicContact CD1-CB 4.3Å; F383-P389 HydrophobicContact CE1-CB 4.23Å; F383-I390 WeakPolarHBondContact O-CD1 3.32Å; F383-V449 PolarHBondContact N-O 2.89Å; F383-T450 CarbonylContact O-C 3.49Å; F383-T450 VanDerWaalsContact O-CA 3.27Å; F383-T450 WeakPolarHBondContact O-CA 3.36Å; F383-L451 PolarHBondContact O-N 2.87Å
384	D	97.2	Very high	97	Very high	37 Å²	37	46 Å²	46	20%	0.198	25%	0.252	C	S	.	.			trans	-85	175.8	161.2	78.6	4.8	0	0	0	111.2	A386 G387 M388 I390 F430 T450	D384-A386 PolarHBondContact O-N 2.03Å; D384-A386 VanDerWaalsContact OD1-CA 3.3Å; D384-A386 WeakPolarHBondContact OD1-CA 3.48Å; D384-A386 WeakPolarHBondContact OD1-CB 3.34Å; D384-A386 PolarHBondContact OD1-N 2.89Å; D384-G387 PolarHBondContact O-N 2.8Å; D384-G387 PolarHBondContact OD1-N 3.34Å; D384-M388 PolarHBondContact N-O 3.35Å; D384-M388 PolarHBondContact OD1-N 2.65Å; D384-I390 HydrophobicContact CB-CD1 4.16Å; D384-I390 HydrophobicContact CB-CG1 4.35Å; D384-F430 HydrophobicContact CB-CE1 3.71Å; D384-F430 HydrophobicContact CB-CZ 3.83Å; D384-T450 WeakPolarHBondContact O-CG2 3.43Å
385	P	97.3	Very high	96.9	Very high	69 Å²	69	45.8 Å²	45.8	45%	0.448	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-16.7	179.4	-21.5	35.5	0	0	0	114.5	G387 T450 L451 P453	P385-G387 VanDerWaalsContact C-N 3.26Å; P385-T450 HydrophobicContact CG-CG2 4.47Å; P385-L451 VanDerWaalsContact CD-O 3.31Å; P385-L451 WeakPolarHBondContact CD-O 3.34Å; P385-P453 HydrophobicContact CG-CG 4.42Å
386	A	96.6	Very high	96.9	Very high	84 Å²	84	46.6 Å²	46.6	69%	0.694	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.1	174	0	0	0	0	0	112.3	D384 M388	D384-A386 PolarHBondContact O-N 2.03Å; D384-A386 VanDerWaalsContact OD1-CA 3.3Å; D384-A386 WeakPolarHBondContact OD1-CA 3.48Å; D384-A386 WeakPolarHBondContact OD1-CB 3.34Å; D384-A386 PolarHBondContact OD1-N 2.89Å; A386-M388 HydrophobicContact CB-CG 4.42Å
387	G	95.8	Very high	97	Very high	46 Å²	46	44.4 Å²	44.4	47%	0.474	25%	0.246	S	C	.	.	S	Bend	trans	82.9	10.9	-177.6	0	0	0	0	0	113.7	F383 D384 P385	F383-G387 WeakPolarHBondContact CD1-O 3.46Å; D384-G387 PolarHBondContact O-N 2.8Å; D384-G387 PolarHBondContact OD1-N 3.34Å; P385-G387 VanDerWaalsContact C-N 3.26Å
388	M	97.4	Very high	97	Very high	116 Å²	116	49 Å²	49	57%	0.571	27%	0.266	S	S	*	.			trans	-79.6	136.6	176.9	-62.6	-63.3	-62.5	0	0	110.3	F383 D384 A386	F383-M388 CarbonylContact C-O 3.53Å; F383-M388 VanDerWaalsContact CA-O 3.26Å; F383-M388 WeakPolarHBondContact CA-O 3.3Å; D384-M388 PolarHBondContact N-O 3.35Å; D384-M388 PolarHBondContact OD1-N 2.65Å; A386-M388 HydrophobicContact CB-CG 4.42Å
389	P	97.8	Very high	96.9	Very high	55 Å²	55	52.1 Å²	52.1	36%	0.357	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-66.9	139.6	178.6	27.2	-33.9	0	0	0	111.3	F383 Y409	F383-P389 HydrophobicContact CD1-CB 4.3Å; F383-P389 HydrophobicContact CE1-CB 4.23Å; P389-Y409 WeakPolarHBondContact CB-O 3.43Å
390	I	97.9	Very high	96.8	Very high	17 Å²	17	51.3 Å²	51.3	9%	0.087	29%	0.294	C	S	.	.			trans	-99.5	106.5	176.3	-58.1	179.5	0	0	0	108.7	V382 F383 D384 A393 T406 A427 F430 L451	V382-I390 HydrophobicContact CG1-CB 4.17Å; V382-I390 HydrophobicContact CG1-CD1 4.21Å; V382-I390 PolarHBondContact O-N 2.86Å; F383-I390 WeakPolarHBondContact O-CD1 3.32Å; D384-I390 HydrophobicContact CB-CD1 4.16Å; D384-I390 HydrophobicContact CB-CG1 4.35Å; I390-A393 HydrophobicContact CG2-CB 4.03Å; I390-T406 PolarHBondContact O-OG1 3.13Å; I390-A427 HydrophobicContact CG2-CB 3.71Å; I390-F430 HydrophobicContact CD1-CD1 4.13Å; I390-F430 HydrophobicContact CD1-CD2 4.11Å; I390-F430 HydrophobicContact CD1-CE1 3.77Å; I390-F430 HydrophobicContact CD1-CE2 3.77Å; I390-F430 HydrophobicContact CD1-CG 4.3Å; I390-F430 HydrophobicContact CD1-CZ 3.58Å; I390-F430 HydrophobicContact CG1-CE2 4.41Å; I390-F430 HydrophobicContact CG1-CZ 4.27Å; I390-L451 HydrophobicContact CD1-CB 3.92Å; I390-L451 HydrophobicContact CD1-CD1 3.96Å; I390-L451 HydrophobicContact CD1-CG 4.22Å
391	E	96.4	Very high	96.4	Very high	115 Å²	115	55.2 Å²	55.2	54%	0.537	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	142.9	174	174.8	169.4	-156	0	0	111.7	A393 T407 K408	E391-A393 PolarHBondContact O-N 2.71Å; E391-A393 VanDerWaalsContact O-N 3.1Å; E391-T407 WeakPolarHBondContact CA-O 3.37Å; E391-K408 HydrophobicContact CG-CB 4.36Å
392	R	94.9	Very high	96.1	Very high	162 Å²	162	53.7 Å²	53.7	61%	0.611	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	26.4	174.2	-65.1	166.8	73	82.7	7.8	114.6	S394 T406	R392-S394 PolarHBondContact O-N 3.04Å; R392-T406 PolarHBondContact N-O 3.25Å; R392-T406 VanDerWaalsContact N-O 3.16Å; R392-T406 PolarHBondContact N-OG1 3.35Å
393	A	97.3	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.			trans	-59.2	129.9	165.4	0	0	0	0	0	108.6	V382 I390 E391 Q405 T406 V425 F426 A427	V382-A393 HydrophobicContact CB-CB 4.43Å; V382-A393 HydrophobicContact CG1-CB 4.16Å; I390-A393 HydrophobicContact CG2-CB 4.03Å; E391-A393 PolarHBondContact O-N 2.71Å; E391-A393 VanDerWaalsContact O-N 3.1Å; A393-Q405 CarbonylContact O-C 3.51Å; A393-Q405 VanDerWaalsContact O-CA 3.25Å; A393-Q405 WeakPolarHBondContact O-CA 3.28Å; A393-T406 HydrophobicContact CB-CG2 3.94Å; A393-T406 WeakPolarHBondContact CB-OG1 3.42Å; A393-T406 PolarHBondContact N-OG1 2.92Å; A393-T406 PolarHBondContact O-N 3.02Å; A393-T406 VanDerWaalsContact O-N 3.07Å; A393-V425 HydrophobicContact CB-CG1 4.31Å; A393-F426 CarbonylContact C-O 3.59Å; A393-F426 WeakPolarHBondContact CA-O 3.13Å; A393-A427 HydrophobicContact CB-CB 4.11Å
394	S	97	Very high	95.6	Very high	47 Å²	47	52.5 Å²	52.5	33%	0.329	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.2	176	-175.9	0	0	0	0	109.4	R392 V425 F426	R392-S394 PolarHBondContact O-N 3.04Å; S394-V425 WeakPolarHBondContact O-CA 3.26Å; S394-F426 PolarHBondContact N-O 3Å; S394-F426 PolarHBondContact O-N 3.26Å
395	I	96.9	Very high	95.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.6	179.8	-55.5	176.5	0	0	0	109.2	V382 G403 F404 T406 F412 V423 E424 V425	V382-I395 HydrophobicContact CG2-CD1 4.23Å; I395-G403 CarbonylContact O-C 3.51Å; I395-G403 WeakPolarHBondContact O-CA 3.35Å; I395-F404 HydrophobicContact CB-CD2 3.92Å; I395-F404 HydrophobicContact CB-CE1 4.28Å; I395-F404 HydrophobicContact CB-CE2 3.62Å; I395-F404 HydrophobicContact CB-CG 4.37Å; I395-F404 HydrophobicContact CB-CZ 3.82Å; I395-F404 HydrophobicContact CD1-CD2 4.3Å; I395-F404 HydrophobicContact CD1-CE2 3.88Å; I395-F404 HydrophobicContact CG1-CE2 4.35Å; I395-F404 HydrophobicContact CG2-CD2 4.27Å; I395-F404 HydrophobicContact CG2-CE1 3.88Å; I395-F404 HydrophobicContact CG2-CE2 3.48Å; I395-F404 VanDerWaalsContact CG2-CE2 3.48Å; I395-F404 HydrophobicContact CG2-CZ 3.25Å; I395-F404 PolarHBondContact N-O 2.95Å; I395-F404 PolarHBondContact O-N 3Å; I395-T406 HydrophobicContact CD1-CG2 3.6Å; I395-T406 HydrophobicContact CG1-CG2 4.37Å; I395-F412 HydrophobicContact CD1-CB 3.39Å; I395-F412 HydrophobicContact CD1-CD1 3.6Å; I395-F412 HydrophobicContact CD1-CD2 3.97Å; I395-F412 HydrophobicContact CD1-CE1 4.36Å; I395-F412 HydrophobicContact CD1-CG 3.36Å; I395-V423 HydrophobicContact CG2-CG2 3.28Å; I395-E424 WeakPolarHBondContact CA-O 2.99Å; I395-V425 HydrophobicContact CG1-CG1 4.38Å; I395-V425 HydrophobicContact CG1-CG2 4.49Å
396	K	95.6	Very high	95.5	Very high	44 Å²	44	50.5 Å²	50.5	19%	0.191	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.5	174.6	-175.3	-179.1	176.6	-179.6	0	109.6	R400 D401 V423 E424	K396-R400 WeakPolarHBondContact CE-O 3.22Å; K396-R400 WeakPolarHBondContact CG-O 3.47Å; K396-D401 VanDerWaalsContact CE-OD1 3.28Å; K396-D401 WeakPolarHBondContact CE-OD1 3.19Å; K396-D401 IonicContact NZ-OD1 2.69Å; K396-D401 PolarHBondContact NZ-OD1 2.81Å; K396-V423 WeakPolarHBondContact O-CA 3.49Å; K396-E424 HydrophobicContact CB-CB 4.5Å; K396-E424 PolarHBondContact N-O 3.24Å; K396-E424 PolarHBondContact O-N 2.81Å
397	I	97.6	Very high	95.5	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	124.8	167.4	-55.9	-52.8	0	0	0	107.4	G399 R400 F404 R414 L416 Y421 V423 F437	I397-G399 PolarHBondContact O-N 3.11Å; I397-R400 HydrophobicContact CB-CB 4.16Å; I397-R400 HydrophobicContact CB-CG 4.22Å; I397-R400 HydrophobicContact CG2-CG 4.18Å; I397-R400 WeakPolarHBondContact O-CA 2.93Å; I397-R400 PolarHBondContact O-N 3.3Å; I397-F404 HydrophobicContact CD1-CZ 4.47Å; I397-F404 HydrophobicContact CG1-CE1 4.33Å; I397-R414 HydrophobicContact CG1-CG 4.21Å; I397-L416 HydrophobicContact CD1-CD1 4.3Å; I397-L416 HydrophobicContact CG1-CD1 4.39Å; I397-L416 HydrophobicContact CG1-CD2 4.49Å; I397-Y421 HydrophobicContact CG2-CD1 3.79Å; I397-V423 HydrophobicContact CD1-CB 4.13Å; I397-V423 HydrophobicContact CD1-CG2 4.1Å; I397-F437 HydrophobicContact CD1-CE1 4.25Å; I397-F437 HydrophobicContact CD1-CZ 3.92Å
398	K	96.3	Very high	95.4	Very high	97 Å²	97	51 Å²	51	42%	0.422	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	129.2	-179.6	-164.2	168.2	-167.3	130.4	0	109.8	R400 K422 E424 E434	K398-R400 VanDerWaalsContact C-N 3.33Å; K398-K422 HydrophobicContact CB-CB 4.05Å; K398-K422 WeakPolarHBondContact CB-O 3.3Å; K398-K422 HydrophobicContact CD-CB 4.37Å; K398-K422 HydrophobicContact CD-CD 3.86Å; K398-K422 HydrophobicContact CD-CG 4.36Å; K398-K422 PolarHBondContact N-O 3.04Å; K398-E424 HydrophobicContact CB-CG 4.29Å; K398-E424 IonicContact NZ-OE1 3.82Å; K398-E424 PolarHBondContact NZ-OE1 3.14Å; K398-E434 IonicContact NZ-OE1 3.43Å; K398-E434 PolarHBondContact NZ-OE1 3.43Å; K398-E434 IonicContact NZ-OE2 3.63Å; K398-E434 PolarHBondContact NZ-OE2 3.3Å
399	G	94.4	Very high	95.3	Very high	70 Å²	70	49.7 Å²	49.7	72%	0.722	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-4	-172.1	0	0	0	0	0	114.9	I397	I397-G399 PolarHBondContact O-N 3.11Å
400	R	95.1	Very high	95.3	Very high	21 Å²	21	47.1 Å²	47.1	8%	0.079	24%	0.239	C	C	.	.			trans	-115.9	108.3	171.2	-55.3	-165.3	177.5	-156.9	-11.1	110.7	P279 D280 D282 V283 K396 I397 K398 V402 L416	P279-R400 HydrophobicContact CB-CB 3.96Å; P279-R400 HydrophobicContact CB-CG 4.5Å; D280-R400 WeakPolarHBondContact OD1-CD 3.23Å; D280-R400 IonicContact OD1-CZ 3.91Å; D280-R400 IonicContact OD1-NE 3.54Å; D280-R400 IonicContact OD1-NH1 2.85Å; D280-R400 PolarHBondContact OD1-NH1 3.37Å; D282-R400 VanDerWaalsContact CG-NH2 3.28Å; D282-R400 IonicContact OD1-CZ 2.75Å; D282-R400 IonicContact OD1-NH1 3.9Å; D282-R400 PolarHBondContact OD1-NH1 3.27Å; D282-R400 IonicContact OD1-NH2 3.06Å; D282-R400 PolarHBondContact OD1-NH2 2.95Å; D282-R400 IonicContact OD2-CZ 3.93Å; D282-R400 IonicContact OD2-NH2 3.18Å; D282-R400 PolarHBondContact OD2-NH2 3.33Å; V283-R400 VanDerWaalsContact CG2-NH1 3.31Å; K396-R400 WeakPolarHBondContact CE-O 3.22Å; K396-R400 WeakPolarHBondContact CG-O 3.47Å; I397-R400 HydrophobicContact CB-CB 4.16Å; I397-R400 HydrophobicContact CB-CG 4.22Å; I397-R400 HydrophobicContact CG2-CG 4.18Å; I397-R400 WeakPolarHBondContact O-CA 2.93Å; I397-R400 PolarHBondContact O-N 3.3Å; K398-R400 VanDerWaalsContact C-N 3.33Å; R400-V402 PolarHBondContact O-N 2.96Å; R400-L416 VanDerWaalsContact NH1-CD2 3.3Å
401	D	89.3	Confident	95.3	Very high	87 Å²	87	46.3 Å²	46.3	47%	0.465	24%	0.235	S	C	.	.			trans	-80.2	35.2	-172.5	-71.6	-21.5	0	0	0	114.9	P279 K396 H488	P279-D401 HydrophobicContact CG-CB 4.24Å; K396-D401 VanDerWaalsContact CE-OD1 3.28Å; K396-D401 WeakPolarHBondContact CE-OD1 3.19Å; K396-D401 IonicContact NZ-OD1 2.69Å; K396-D401 PolarHBondContact NZ-OD1 2.81Å; D401-H488 IonicContact OD1-CE1 2.86Å; D401-H488 IonicContact OD1-NE2 3.95Å; D401-H488 IonicContact OD2-CE1 3.33Å
402	V	91.2	Very high	95.3	Very high	9 Å²	9	41 Å²	41	6%	0.055	21%	0.21	C	C	.	.			trans	-133.3	114.8	171.3	175.7	0	0	0	0	108.9	P279 Y333 R400	P279-V402 HydrophobicContact CG-CG2 4.17Å; Y333-V402 HydrophobicContact CD2-CG1 4.35Å; Y333-V402 HydrophobicContact CE1-CB 4.23Å; Y333-V402 HydrophobicContact CE1-CG1 4.17Å; Y333-V402 HydrophobicContact CE1-CG2 3.66Å; Y333-V402 HydrophobicContact CE2-CB 4.33Å; Y333-V402 HydrophobicContact CE2-CG1 3.97Å; R400-V402 PolarHBondContact O-N 2.96Å
403	G	91.8	Very high	95.4	Very high	18 Å²	18	34.1 Å²	34.1	19%	0.186	18%	0.184	C	C	.	.			trans	-90.3	161.8	178.5	0	0	0	0	0	113.1	I395 R490	I395-G403 CarbonylContact O-C 3.51Å; I395-G403 WeakPolarHBondContact O-CA 3.35Å; G403-R490 PolarHBondContact O-NH2 2.89Å
404	F	94.4	Very high	95.4	Very high	7 Å²	7	34.3 Å²	34.3	3%	0.031	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	177.4	174.7	54.7	-80.8	0	0	0	109.2	I395 I397 F412 R414	I395-F404 HydrophobicContact CB-CD2 3.92Å; I395-F404 HydrophobicContact CB-CE1 4.28Å; I395-F404 HydrophobicContact CB-CE2 3.62Å; I395-F404 HydrophobicContact CB-CG 4.37Å; I395-F404 HydrophobicContact CB-CZ 3.82Å; I395-F404 HydrophobicContact CD1-CD2 4.3Å; I395-F404 HydrophobicContact CD1-CE2 3.88Å; I395-F404 HydrophobicContact CG1-CE2 4.35Å; I395-F404 HydrophobicContact CG2-CD2 4.27Å; I395-F404 HydrophobicContact CG2-CE1 3.88Å; I395-F404 HydrophobicContact CG2-CE2 3.48Å; I395-F404 VanDerWaalsContact CG2-CE2 3.48Å; I395-F404 HydrophobicContact CG2-CZ 3.25Å; I395-F404 PolarHBondContact N-O 2.95Å; I395-F404 PolarHBondContact O-N 3Å; I397-F404 HydrophobicContact CD1-CZ 4.47Å; I397-F404 HydrophobicContact CG1-CE1 4.33Å; F404-F412 HydrophobicContact CD2-CB 4.42Å; F404-F412 HydrophobicContact CE2-CB 4.03Å; F404-F412 AromaticContact CE2-CD2 3.91Å; F404-F412 HydrophobicContact CE2-CD2 3.91Å; F404-F412 HydrophobicContact CE2-CG 4.32Å; F404-R414 HydrophobicContact CE1-CB 4.08Å; F404-R414 HydrophobicContact CE1-CG 3.89Å; F404-R414 HydrophobicContact CE2-CB 4.22Å; F404-R414 HydrophobicContact CZ-CB 3.66Å; F404-R414 HydrophobicContact CZ-CG 4Å
405	Q	95.3	Very high	95.5	Very high	59 Å²	59	32.1 Å²	32.1	28%	0.276	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	161.5	-173.8	-70.2	-176.6	-32.5	0	0	111.8	Q232 A393	Q232-Q405 PolarHBondContact NE2-O 2.93Å; Q232-Q405 PolarHBondContact OE1-O 3.29Å; A393-Q405 CarbonylContact O-C 3.51Å; A393-Q405 VanDerWaalsContact O-CA 3.25Å; A393-Q405 WeakPolarHBondContact O-CA 3.28Å
406	T	96.8	Very high	95.5	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.025	17%	0.169	C	C	.	.			trans	-80	151.1	169.1	54.3	0	0	0	0	112.7	V382 I390 R392 A393 I395 G410 E411 F412	V382-T406 HydrophobicContact CB-CG2 3.94Å; V382-T406 HydrophobicContact CG2-CG2 3.51Å; I390-T406 PolarHBondContact O-OG1 3.13Å; R392-T406 PolarHBondContact N-O 3.25Å; R392-T406 VanDerWaalsContact N-O 3.16Å; R392-T406 PolarHBondContact N-OG1 3.35Å; A393-T406 HydrophobicContact CB-CG2 3.94Å; A393-T406 WeakPolarHBondContact CB-OG1 3.42Å; A393-T406 PolarHBondContact N-OG1 2.92Å; A393-T406 PolarHBondContact O-N 3.02Å; A393-T406 VanDerWaalsContact O-N 3.07Å; I395-T406 HydrophobicContact CD1-CG2 3.6Å; I395-T406 HydrophobicContact CG1-CG2 4.37Å; T406-G410 WeakPolarHBondContact CG2-O 3.31Å; T406-E411 CarbonylContact C-O 3.37Å; T406-E411 WeakPolarHBondContact CA-O 3.22Å; T406-F412 HydrophobicContact CG2-CB 4.29Å; T406-F412 HydrophobicContact CG2-CD1 4.44Å
407	T	95.6	Very high	95.6	Very high	17 Å²	17	31.7 Å²	31.7	10%	0.104	17%	0.169	C	C	.	.			trans	-68.4	175.3	171.6	72.4	0	0	0	0	111.2	Q232 E391 Y409 G410 E411 W413	Q232-T407 HydrophobicContact CB-CG2 4.06Å; Q232-T407 HydrophobicContact CG-CG2 4.37Å; Q232-T407 VanDerWaalsContact OE1-CG2 3.22Å; E391-T407 WeakPolarHBondContact CA-O 3.37Å; T407-Y409 PolarHBondContact O-N 2.85Å; T407-Y409 VanDerWaalsContact O-N 3.12Å; T407-Y409 PolarHBondContact OG1-N 2.9Å; T407-Y409 VanDerWaalsContact OG1-N 3.08Å; T407-G410 PolarHBondContact O-N 3.19Å; T407-E411 HydrophobicContact CG2-CB 3.99Å; T407-E411 PolarHBondContact N-O 3.26Å; T407-E411 WeakPolarHBondContact OG1-CB 3.45Å; T407-E411 PolarHBondContact OG1-N 2.82Å; T407-E411 PolarHBondContact OG1-OE2 2.82Å; T407-W413 HydrophobicContact CG2-CH2 4.25Å; T407-W413 HydrophobicContact CG2-CZ3 3.69Å
408	K	94.6	Very high	95.6	Very high	125 Å²	125	34.8 Å²	34.8	54%	0.543	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.9	168.9	71.2	-178.2	-174.1	175.5	0	114.4	E391	E391-K408 HydrophobicContact CG-CB 4.36Å
409	Y	96.4	Very high	95.6	Very high	88 Å²	88	31.2 Å²	31.2	35%	0.345	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	10.1	174.9	-55.8	-69.8	0	0	0	112.5	H119 V121 P389 T407 E411	H119-Y409 AromaticContact CD2-CD2 3.86Å; H119-Y409 AromaticContact CD2-CE2 3.82Å; V121-Y409 HydrophobicContact CG2-CD1 4.15Å; V121-Y409 HydrophobicContact CG2-CD2 4.04Å; V121-Y409 HydrophobicContact CG2-CE2 4.44Å; V121-Y409 HydrophobicContact CG2-CG 3.87Å; P389-Y409 WeakPolarHBondContact CB-O 3.43Å; T407-Y409 PolarHBondContact O-N 2.85Å; T407-Y409 VanDerWaalsContact O-N 3.12Å; T407-Y409 PolarHBondContact OG1-N 2.9Å; T407-Y409 VanDerWaalsContact OG1-N 3.08Å; Y409-E411 PolarHBondContact O-N 2.86Å
410	G	97.3	Very high	95.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	75.4	7.6	-179.4	0	0	0	0	0	113.8	F381 V382 T406 T407	F381-G410 CarbonylContact C-O 3.49Å; F381-G410 VanDerWaalsContact CA-O 3.28Å; F381-G410 WeakPolarHBondContact CA-O 3.22Å; V382-G410 PolarHBondContact N-O 2.97Å; T406-G410 WeakPolarHBondContact CG2-O 3.31Å; T407-G410 PolarHBondContact O-N 3.19Å
411	E	97.4	Very high	95.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	149.9	-175.6	-57.5	158	105.8	0	0	111.8	H119 V121 G122 G380 F381 T406 T407 Y409 W413	H119-E411 IonicContact CD2-OE2 2.63Å; H119-E411 IonicContact NE2-OE1 2.65Å; H119-E411 PolarHBondContact NE2-OE1 2.95Å; H119-E411 IonicContact NE2-OE2 3.2Å; H119-E411 PolarHBondContact NE2-OE2 2.84Å; V121-E411 WeakPolarHBondContact CA-OE1 3.35Å; V121-E411 HydrophobicContact CG1-CG 4.3Å; G122-E411 PolarHBondContact N-OE1 3.32Å; G380-E411 CarbonylContact O-C 3.48Å; G380-E411 VanDerWaalsContact O-CA 3.3Å; G380-E411 WeakPolarHBondContact O-CA 3.28Å; F381-E411 HydrophobicContact CD1-CG 3.81Å; F381-E411 HydrophobicContact CE1-CB 4.41Å; F381-E411 HydrophobicContact CE1-CG 3.34Å; F381-E411 HydrophobicContact CZ-CG 4.01Å; T406-E411 CarbonylContact C-O 3.37Å; T406-E411 WeakPolarHBondContact CA-O 3.22Å; T407-E411 HydrophobicContact CG2-CB 3.99Å; T407-E411 PolarHBondContact N-O 3.26Å; T407-E411 WeakPolarHBondContact OG1-CB 3.45Å; T407-E411 PolarHBondContact OG1-N 2.82Å; T407-E411 PolarHBondContact OG1-OE2 2.82Å; Y409-E411 PolarHBondContact O-N 2.86Å; E411-W413 HydrophobicContact CB-CE3 4.48Å; E411-W413 HydrophobicContact CB-CH2 3.38Å; E411-W413 HydrophobicContact CB-CZ2 4.03Å; E411-W413 HydrophobicContact CB-CZ3 3.64Å; E411-W413 VanDerWaalsContact CD-CH2 3.47Å; E411-W413 HydrophobicContact CG-CH2 3.97Å; E411-W413 HydrophobicContact CG-CZ2 4.45Å; E411-W413 WeakPolarHBondContact OE1-CH2 3.34Å
412	F	97.1	Very high	96.3	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.8	167	70	-88.2	0	0	0	111.6	V378 Q379 G380 V382 I395 F404 T406 L447	V378-F412 HydrophobicContact CG1-CE2 4.28Å; V378-F412 HydrophobicContact CG2-CE2 4.04Å; V378-F412 HydrophobicContact CG2-CZ 4.48Å; Q379-F412 CarbonylContact C-O 3.59Å; Q379-F412 VanDerWaalsContact CA-O 3.23Å; Q379-F412 WeakPolarHBondContact CA-O 3.06Å; G380-F412 VanDerWaalsContact C-CE1 3.45Å; G380-F412 PolarHBondContact N-O 3.33Å; G380-F412 VanDerWaalsContact O-CD1 3.27Å; G380-F412 WeakPolarHBondContact O-CD1 3.41Å; G380-F412 PolarHBondContact O-N 2.59Å; V382-F412 HydrophobicContact CG2-CD1 4.08Å; V382-F412 HydrophobicContact CG2-CE1 4.2Å; I395-F412 HydrophobicContact CD1-CB 3.39Å; I395-F412 HydrophobicContact CD1-CD1 3.6Å; I395-F412 HydrophobicContact CD1-CD2 3.97Å; I395-F412 HydrophobicContact CD1-CE1 4.36Å; I395-F412 HydrophobicContact CD1-CG 3.36Å; F404-F412 HydrophobicContact CD2-CB 4.42Å; F404-F412 HydrophobicContact CE2-CB 4.03Å; F404-F412 AromaticContact CE2-CD2 3.91Å; F404-F412 HydrophobicContact CE2-CD2 3.91Å; F404-F412 HydrophobicContact CE2-CG 4.32Å; T406-F412 HydrophobicContact CG2-CB 4.29Å; T406-F412 HydrophobicContact CG2-CD1 4.44Å; F412-L447 WeakPolarHBondContact CE1-O 3.36Å; F412-L447 HydrophobicContact CZ-CB 4.29Å; F412-L447 HydrophobicContact CZ-CD2 4.44Å; F412-L447 HydrophobicContact CZ-CG 4.48Å; F412-L447 VanDerWaalsContact CZ-O 3.3Å; F412-L447 WeakPolarHBondContact CZ-O 3.13Å
413	W	97.3	Very high	96.6	Very high	18 Å²	18	36.6 Å²	36.6	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142.7	172.9	-59.8	-98.4	0	0	0	109.1	P124 V234 V378 Q379 T407 E411	P124-W413 HydrophobicContact CB-CG 4.48Å; V234-W413 HydrophobicContact CB-CB 4.42Å; V234-W413 HydrophobicContact CG1-CB 3.84Å; V234-W413 HydrophobicContact CG2-CB 3.65Å; V234-W413 HydrophobicContact CG2-CD2 3.99Å; V234-W413 HydrophobicContact CG2-CE3 4Å; V234-W413 HydrophobicContact CG2-CG 3.84Å; V378-W413 CarbonylContact O-C 3.27Å; V378-W413 WeakPolarHBondContact O-CA 3.48Å; Q379-W413 VanDerWaalsContact CB-CD1 3.42Å; Q379-W413 HydrophobicContact CB-CG 4.14Å; T407-W413 HydrophobicContact CG2-CH2 4.25Å; T407-W413 HydrophobicContact CG2-CZ3 3.69Å; E411-W413 HydrophobicContact CB-CE3 4.48Å; E411-W413 HydrophobicContact CB-CH2 3.38Å; E411-W413 HydrophobicContact CB-CZ2 4.03Å; E411-W413 HydrophobicContact CB-CZ3 3.64Å; E411-W413 VanDerWaalsContact CD-CH2 3.47Å; E411-W413 HydrophobicContact CG-CH2 3.97Å; E411-W413 HydrophobicContact CG-CZ2 4.45Å; E411-W413 WeakPolarHBondContact OE1-CH2 3.34Å
414	R	97.1	Very high	96.9	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.019	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	117.7	169.4	-172.3	61.7	174.8	-168.1	-7.8	110.2	D280 G337 M339 G377 V378 I397 F404 L416	D280-R414 IonicContact OD1-CZ 3.69Å; D280-R414 IonicContact OD1-NE 3.85Å; D280-R414 PolarHBondContact OD1-NE 2.92Å; D280-R414 IonicContact OD1-NH2 3.23Å; D280-R414 PolarHBondContact OD1-NH2 3.48Å; D280-R414 IonicContact OD2-CZ 2.73Å; D280-R414 IonicContact OD2-NH2 3.01Å; D280-R414 PolarHBondContact OD2-NH2 3.45Å; G337-R414 PolarHBondContact O-NH1 2.86Å; M339-R414 VanDerWaalsContact CE-NE 3.28Å; G377-R414 WeakPolarHBondContact CA-O 3.43Å; V378-R414 HydrophobicContact CG1-CB 3.85Å; V378-R414 PolarHBondContact N-O 3.33Å; V378-R414 PolarHBondContact O-N 3.31Å; I397-R414 HydrophobicContact CG1-CG 4.21Å; F404-R414 HydrophobicContact CE1-CB 4.08Å; F404-R414 HydrophobicContact CE1-CG 3.89Å; F404-R414 HydrophobicContact CE2-CB 4.22Å; F404-R414 HydrophobicContact CZ-CB 3.66Å; F404-R414 HydrophobicContact CZ-CG 4Å; R414-L416 HydrophobicContact CG-CD1 4.38Å; R414-L416 HydrophobicContact CG-CD2 4.08Å; R414-L416 HydrophobicContact CG-CG 3.98Å; R414-L416 PolarHBondContact O-N 3.35Å
415	I	97.5	Very high	97.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.177	C	C	.	.			trans	-68.7	124.6	173.3	-50.6	173.8	0	0	0	108	V234 L235 V283 L287 M339 R376	V234-I415 HydrophobicContact CG1-CD1 4.28Å; V234-I415 HydrophobicContact CG1-CG1 4.11Å; L235-I415 HydrophobicContact CB-CD1 4.17Å; L235-I415 HydrophobicContact CD1-CD1 3.83Å; L235-I415 HydrophobicContact CG-CD1 4.43Å; V283-I415 HydrophobicContact CG1-CB 4.14Å; V283-I415 HydrophobicContact CG1-CG2 3.76Å; L287-I415 HydrophobicContact CD2-CD1 4.43Å; M339-I415 HydrophobicContact CE-CB 4.28Å; M339-I415 WeakPolarHBondContact CE-O 3.21Å; M339-I415 HydrophobicContact SD-CB 3.75Å; M339-I415 HydrophobicContact SD-CD1 4.1Å; M339-I415 HydrophobicContact SD-CG1 4.25Å; R376-I415 HydrophobicContact CB-CG2 4.27Å; R376-I415 HydrophobicContact CG-CG2 4.28Å
416	L	97.4	Very high	97.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.184	C	C	.	.			trans	-142.1	149.6	-179.5	-67.6	175.1	0	0	0	108.6	R376 V378 I397 R400 R414 Y421 F437 I439	R376-L416 WeakPolarHBondContact CD-O 3.3Å; R376-L416 VanDerWaalsContact CG-O 3.26Å; R376-L416 WeakPolarHBondContact CG-O 3.33Å; V378-L416 HydrophobicContact CG1-CD1 3.94Å; I397-L416 HydrophobicContact CD1-CD1 4.3Å; I397-L416 HydrophobicContact CG1-CD1 4.39Å; I397-L416 HydrophobicContact CG1-CD2 4.49Å; R400-L416 VanDerWaalsContact NH1-CD2 3.3Å; R414-L416 HydrophobicContact CG-CD1 4.38Å; R414-L416 HydrophobicContact CG-CD2 4.08Å; R414-L416 HydrophobicContact CG-CG 3.98Å; R414-L416 PolarHBondContact O-N 3.35Å; L416-Y421 HydrophobicContact CB-CE2 4.22Å; L416-Y421 HydrophobicContact CD1-CD1 4.21Å; L416-Y421 HydrophobicContact CD1-CD2 4.17Å; L416-Y421 HydrophobicContact CD1-CE1 4.34Å; L416-Y421 HydrophobicContact CD1-CE2 4.3Å; L416-Y421 HydrophobicContact CD1-CG 4.11Å; L416-Y421 HydrophobicContact CD2-CE1 4.05Å; L416-F437 HydrophobicContact CD1-CE2 3.79Å; L416-F437 HydrophobicContact CD1-CZ 3.75Å; L416-I439 HydrophobicContact CB-CG1 3.96Å; L416-I439 HydrophobicContact CD1-CG1 4.25Å
417	L	97.2	Very high	97.2	Very high	35 Å²	35	40 Å²	40	18%	0.183	19%	0.185	C	C	.	.			trans	-82.6	166	172.7	-60.3	-174	0	0	0	110.5	D282 V283 H286 G419 Y421 I439	D282-L417 HydrophobicContact CB-CD1 4.1Å; V283-L417 HydrophobicContact CG2-CG 4.13Å; H286-L417 HydrophobicContact CB-CD1 4.15Å; H286-L417 HydrophobicContact CB-CD2 3.85Å; L417-G419 PolarHBondContact O-N 2.9Å; L417-Y421 VanDerWaalsContact O-CE2 3.31Å; L417-Y421 WeakPolarHBondContact O-CE2 3.36Å; L417-Y421 PolarHBondContact O-OH 3.28Å; L417-I439 WeakPolarHBondContact O-CB 3Å; L417-I439 WeakPolarHBondContact O-CG2 3.25Å
418	P	97.6	Very high	97.1	Very high	67 Å²	67	47.8 Å²	47.8	44%	0.435	22%	0.22	S	C	.	.	S	Bend	trans	-54.2	131.7	176.1	-27.9	37	0	0	0	112.4	I439 E441	P418-I439 VanDerWaalsContact CA-O 3.31Å; P418-I439 WeakPolarHBondContact CA-O 3.49Å; P418-E441 HydrophobicContact CG-CB 4.02Å; P418-E441 HydrophobicContact CG-CG 4.37Å
419	G	96.9	Very high	97.1	Very high	22 Å²	22	44 Å²	44	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	177.5	-174	0	0	0	0	0	114.1	L417 Y421 V438 I439	L417-G419 PolarHBondContact O-N 2.9Å; G419-Y421 WeakPolarHBondContact O-CD2 3.47Å; G419-V438 WeakPolarHBondContact O-CA 3.27Å; G419-I439 PolarHBondContact N-O 3.19Å; G419-I439 VanDerWaalsContact N-O 3.14Å; G419-I439 PolarHBondContact O-N 3.03Å
420	Y	97.6	Very high	97.1	Very high	203 Å²	203	41.8 Å²	41.8	80%	0.796	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.5	176.6	-64	-94.7	0	0	0	109.4	V438	Y420-V438 HydrophobicContact CD1-CG1 4.46Å; Y420-V438 HydrophobicContact CD1-CG2 3.48Å; Y420-V438 VanDerWaalsContact CD1-CG2 3.48Å; Y420-V438 HydrophobicContact CE1-CG1 4.29Å; Y420-V438 HydrophobicContact CE1-CG2 3.55Å; Y420-V438 HydrophobicContact CG-CG2 4.42Å
421	Y	98.1	Very high	97.1	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	161.2	-173.3	-63.4	-85.7	0	0	0	111.5	I397 L416 L417 G419 E436 F437 I439	I397-Y421 HydrophobicContact CG2-CD1 3.79Å; L416-Y421 HydrophobicContact CB-CE2 4.22Å; L416-Y421 HydrophobicContact CD1-CD1 4.21Å; L416-Y421 HydrophobicContact CD1-CD2 4.17Å; L416-Y421 HydrophobicContact CD1-CE1 4.34Å; L416-Y421 HydrophobicContact CD1-CE2 4.3Å; L416-Y421 HydrophobicContact CD1-CG 4.11Å; L416-Y421 HydrophobicContact CD2-CE1 4.05Å; L417-Y421 VanDerWaalsContact O-CE2 3.31Å; L417-Y421 WeakPolarHBondContact O-CE2 3.36Å; L417-Y421 PolarHBondContact O-OH 3.28Å; G419-Y421 WeakPolarHBondContact O-CD2 3.47Å; Y421-E436 WeakPolarHBondContact O-CA 3.39Å; Y421-F437 HydrophobicContact CD2-CE2 4.19Å; Y421-F437 HydrophobicContact CD2-CZ 4.47Å; Y421-F437 HydrophobicContact CG-CE2 4.25Å; Y421-F437 HydrophobicContact CG-CZ 4.07Å; Y421-F437 PolarHBondContact N-O 2.83Å; Y421-F437 PolarHBondContact O-N 3.27Å; Y421-I439 HydrophobicContact CD2-CB 4.46Å; Y421-I439 HydrophobicContact CD2-CG1 3.72Å; Y421-I439 HydrophobicContact CE2-CB 4.11Å; Y421-I439 HydrophobicContact CE2-CG1 3.66Å
422	K	98.1	Very high	97	Very high	59 Å²	59	48.4 Å²	48.4	26%	0.257	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.7	168.9	-169.1	171.8	-53.6	-156.1	0	108.7	K398 E434 V435 E436	K398-K422 HydrophobicContact CB-CB 4.05Å; K398-K422 WeakPolarHBondContact CB-O 3.3Å; K398-K422 HydrophobicContact CD-CB 4.37Å; K398-K422 HydrophobicContact CD-CD 3.86Å; K398-K422 HydrophobicContact CD-CG 4.36Å; K398-K422 PolarHBondContact N-O 3.04Å; K422-E434 HydrophobicContact CD-CB 3.99Å; K422-E434 WeakPolarHBondContact CD-OE2 3.25Å; K422-E434 HydrophobicContact CG-CB 4.18Å; K422-V435 CarbonylContact C-O 3.51Å; K422-V435 WeakPolarHBondContact CA-O 3.39Å; K422-E436 HydrophobicContact CB-CG 4.42Å; K422-E436 HydrophobicContact CD-CG 4.31Å; K422-E436 VanDerWaalsContact CE-CG 3.49Å; K422-E436 WeakPolarHBondContact CE-OE1 3.35Å; K422-E436 HydrophobicContact CG-CG 4.18Å; K422-E436 IonicContact NZ-OE1 3.08Å; K422-E436 PolarHBondContact NZ-OE1 2.97Å
423	V	97.7	Very high	97	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.3	174.5	63.9	0	0	0	0	109.6	I395 K396 I397 V425 E434 V435 F437 L447	I395-V423 HydrophobicContact CG2-CG2 3.28Å; K396-V423 WeakPolarHBondContact O-CA 3.49Å; I397-V423 HydrophobicContact CD1-CB 4.13Å; I397-V423 HydrophobicContact CD1-CG2 4.1Å; V423-V425 HydrophobicContact CG1-CG2 4.39Å; V423-V425 HydrophobicContact CG2-CG2 3.94Å; V423-E434 CarbonylContact O-C 3.52Å; V423-E434 VanDerWaalsContact O-CA 3.25Å; V423-E434 WeakPolarHBondContact O-CA 3Å; V423-V435 HydrophobicContact CG1-CB 3.92Å; V423-V435 PolarHBondContact N-O 3.11Å; V423-V435 PolarHBondContact O-N 3.49Å; V423-F437 HydrophobicContact CB-CD1 4.38Å; V423-F437 HydrophobicContact CB-CE1 3.78Å; V423-F437 HydrophobicContact CG1-CD1 4.21Å; V423-F437 HydrophobicContact CG1-CE1 4.1Å; V423-L447 HydrophobicContact CG1-CD2 3.65Å
424	E	97.6	Very high	97	Very high	53 Å²	53	57 Å²	57	25%	0.248	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120.2	173.5	-57.3	177.9	132.7	0	0	107.5	I395 K396 K398 E434	I395-E424 WeakPolarHBondContact CA-O 2.99Å; K396-E424 HydrophobicContact CB-CB 4.5Å; K396-E424 PolarHBondContact N-O 3.24Å; K396-E424 PolarHBondContact O-N 2.81Å; K398-E424 HydrophobicContact CB-CG 4.29Å; K398-E424 IonicContact NZ-OE1 3.82Å; K398-E424 PolarHBondContact NZ-OE1 3.14Å; E424-E434 HydrophobicContact CG-CG 4.13Å
425	V	98.1	Very high	97	Very high	2 Å²	2	58 Å²	58	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.8	-178.6	-171	0	0	0	0	109.4	V382 A393 S394 I395 V423 P432 R433 V449 L451	V382-V425 HydrophobicContact CG1-CG1 3.97Å; V382-V425 HydrophobicContact CG2-CG1 4.01Å; A393-V425 HydrophobicContact CB-CG1 4.31Å; S394-V425 WeakPolarHBondContact O-CA 3.26Å; I395-V425 HydrophobicContact CG1-CG1 4.38Å; I395-V425 HydrophobicContact CG1-CG2 4.49Å; V423-V425 HydrophobicContact CG1-CG2 4.39Å; V423-V425 HydrophobicContact CG2-CG2 3.94Å; V425-P432 WeakPolarHBondContact O-CA 3.43Å; V425-R433 PolarHBondContact N-O 3.2Å; V425-R433 PolarHBondContact O-N 3.07Å; V425-V449 HydrophobicContact CB-CG1 4.36Å; V425-V449 HydrophobicContact CG2-CG1 4.11Å; V425-V449 HydrophobicContact CG2-CG2 4.31Å; V425-L451 HydrophobicContact CB-CD2 4.16Å; V425-L451 HydrophobicContact CG1-CD1 4.04Å; V425-L451 HydrophobicContact CG1-CD2 4.03Å; V425-L451 HydrophobicContact CG1-CG 4.32Å
426	F	97.3	Very high	97.1	Very high	97 Å²	97	64.5 Å²	64.5	43%	0.425	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.8	178.8	171.6	-96.4	0	0	0	110.5	A393 S394 P432	A393-F426 CarbonylContact C-O 3.59Å; A393-F426 WeakPolarHBondContact CA-O 3.13Å; S394-F426 PolarHBondContact N-O 3Å; S394-F426 PolarHBondContact O-N 3.26Å; F426-P432 HydrophobicContact CD2-CG 4.14Å
427	A	97.3	Very high	97.1	Very high	7 Å²	7	65.2 Å²	65.2	6%	0.058	33%	0.333	C	S	.	.			trans	-142.1	146.7	169	0	0	0	0	0	109.6	I390 A393 G429 F430 L451	I390-A427 HydrophobicContact CG2-CB 3.71Å; A393-A427 HydrophobicContact CB-CB 4.11Å; A427-G429 PolarHBondContact O-N 2.03Å; A427-F430 HydrophobicContact CB-CB 4.44Å; A427-F430 HydrophobicContact CB-CD2 3.88Å; A427-F430 HydrophobicContact CB-CG 4.47Å; A427-F430 PolarHBondContact O-N 3.3Å; A427-F430 VanDerWaalsContact O-N 3.13Å; A427-L451 HydrophobicContact CB-CD1 3.54Å
428	E	94.1	Very high	97.1	Very high	180 Å²	180	66.4 Å²	66.4	84%	0.841	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	134.6	177.7	-175.3	172.6	-174	0	0	110.9	F430	E428-F430 VanDerWaalsContact C-N 3.27Å; E428-F430 VanDerWaalsContact O-CD2 3.29Å; E428-F430 WeakPolarHBondContact O-CD2 3.4Å; E428-F430 PolarHBondContact O-N 2.96Å
429	G	94.3	Very high	97	Very high	46 Å²	46	63.4 Å²	63.4	47%	0.474	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-8.3	-176.4	0	0	0	0	0	114.9	A427 S454	A427-G429 PolarHBondContact O-N 2.03Å; G429-S454 WeakPolarHBondContact O-CB 3.42Å; G429-S454 PolarHBondContact O-N 2.76Å; G429-S454 PolarHBondContact O-OG 3.11Å
430	F	96.6	Very high	96.8	Very high	42 Å²	42	66.3 Å²	66.3	18%	0.184	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-112.6	153	-180	-64.1	-93.2	0	0	0	112.7	D384 I390 A427 E428 L451 Q452 P453	D384-F430 HydrophobicContact CB-CE1 3.71Å; D384-F430 HydrophobicContact CB-CZ 3.83Å; I390-F430 HydrophobicContact CD1-CD1 4.13Å; I390-F430 HydrophobicContact CD1-CD2 4.11Å; I390-F430 HydrophobicContact CD1-CE1 3.77Å; I390-F430 HydrophobicContact CD1-CE2 3.77Å; I390-F430 HydrophobicContact CD1-CG 4.3Å; I390-F430 HydrophobicContact CD1-CZ 3.58Å; I390-F430 HydrophobicContact CG1-CE2 4.41Å; I390-F430 HydrophobicContact CG1-CZ 4.27Å; A427-F430 HydrophobicContact CB-CB 4.44Å; A427-F430 HydrophobicContact CB-CD2 3.88Å; A427-F430 HydrophobicContact CB-CG 4.47Å; A427-F430 PolarHBondContact O-N 3.3Å; A427-F430 VanDerWaalsContact O-N 3.13Å; E428-F430 VanDerWaalsContact C-N 3.27Å; E428-F430 VanDerWaalsContact O-CD2 3.29Å; E428-F430 WeakPolarHBondContact O-CD2 3.4Å; E428-F430 PolarHBondContact O-N 2.96Å; F430-L451 HydrophobicContact CB-CB 3.84Å; F430-L451 HydrophobicContact CB-CD1 4.04Å; F430-L451 HydrophobicContact CD1-CB 3.55Å; F430-L451 HydrophobicContact CE1-CB 4.34Å; F430-L451 HydrophobicContact CG-CB 3.83Å; F430-L451 HydrophobicContact CG-CD1 4.27Å; F430-Q452 CarbonylContact C-O 3.57Å; F430-Q452 WeakPolarHBondContact CA-O 3.08Å; F430-P453 HydrophobicContact CE1-CG 4.42Å
431	A	95.9	Very high	96	Very high	43 Å²	43	63.6 Å²	63.6	36%	0.355	33%	0.329	S	S	.	.			trans	-70.7	133.3	168.3	0	0	0	0	0	109.8	Q452	A431-Q452 PolarHBondContact N-O 3.14Å
432	P	95.9	Very high	94.8	Very high	96 Å²	96	69.7 Å²	69.7	62%	0.623	36%	0.359	S	S	*	.			trans	-57.2	145.3	175	-17.2	26	0	0	0	111.3	V425 F426	V425-P432 WeakPolarHBondContact O-CA 3.43Å; F426-P432 HydrophobicContact CD2-CG 4.14Å
433	R	97.1	Very high	94	Very high	104 Å²	104	73.1 Å²	73.1	39%	0.392	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.2	179.4	-170	171.5	175.1	-176.5	-2.3	110.8	V425 V435 V449 T450 L451	V425-R433 PolarHBondContact N-O 3.2Å; V425-R433 PolarHBondContact O-N 3.07Å; R433-V435 HydrophobicContact CG-CG2 3.95Å; R433-V449 HydrophobicContact CG-CG1 4.46Å; R433-T450 WeakPolarHBondContact CD-O 3.49Å; R433-T450 PolarHBondContact NH1-O 3.49Å; R433-L451 HydrophobicContact CB-CD2 3.61Å
434	E	97.5	Very high	93.6	Very high	97 Å²	97	75 Å²	75	45%	0.453	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.2	167.7	-56.4	-166.9	-177.3	0	0	109.6	K398 K422 V423 E424	K398-E434 IonicContact NZ-OE1 3.43Å; K398-E434 PolarHBondContact NZ-OE1 3.43Å; K398-E434 IonicContact NZ-OE2 3.63Å; K398-E434 PolarHBondContact NZ-OE2 3.3Å; K422-E434 HydrophobicContact CD-CB 3.99Å; K422-E434 WeakPolarHBondContact CD-OE2 3.25Å; K422-E434 HydrophobicContact CG-CB 4.18Å; V423-E434 CarbonylContact O-C 3.52Å; V423-E434 VanDerWaalsContact O-CA 3.25Å; V423-E434 WeakPolarHBondContact O-CA 3Å; E424-E434 HydrophobicContact CG-CG 4.13Å
435	V	98	Very high	93.5	Very high	25 Å²	25	73.8 Å²	73.8	15%	0.152	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.7	178.2	-170.3	0	0	0	0	110.1	K422 V423 R433 L447 V449	K422-V435 CarbonylContact C-O 3.51Å; K422-V435 WeakPolarHBondContact CA-O 3.39Å; V423-V435 HydrophobicContact CG1-CB 3.92Å; V423-V435 PolarHBondContact N-O 3.11Å; V423-V435 PolarHBondContact O-N 3.49Å; R433-V435 HydrophobicContact CG-CG2 3.95Å; V435-L447 HydrophobicContact CG1-CD1 3.93Å; V435-V449 HydrophobicContact CG2-CG1 4.12Å; V435-V449 HydrophobicContact CG2-CG2 4.21Å
436	E	98.2	Very high	93.3	Very high	139 Å²	139	79.4 Å²	79.4	65%	0.65	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	141.6	175	-70.8	175.8	175.8	0	0	110.5	Y421 K422	Y421-E436 WeakPolarHBondContact O-CA 3.39Å; K422-E436 HydrophobicContact CB-CG 4.42Å; K422-E436 HydrophobicContact CD-CG 4.31Å; K422-E436 VanDerWaalsContact CE-CG 3.49Å; K422-E436 WeakPolarHBondContact CE-OE1 3.35Å; K422-E436 HydrophobicContact CG-CG 4.18Å; K422-E436 IonicContact NZ-OE1 3.08Å; K422-E436 PolarHBondContact NZ-OE1 2.97Å
437	F	97.5	Very high	93.3	Very high	15 Å²	15	75.8 Å²	75.8	7%	0.066	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164.3	178.1	67.3	-79.1	0	0	0	110.9	V378 I397 L416 Y421 V423 I439 T445 L447	V378-F437 HydrophobicContact CB-CD2 4.19Å; V378-F437 HydrophobicContact CB-CE2 3.69Å; V378-F437 HydrophobicContact CB-CZ 4.33Å; V378-F437 HydrophobicContact CG1-CE2 3.8Å; V378-F437 HydrophobicContact CG1-CZ 3.98Å; V378-F437 HydrophobicContact CG2-CD2 4.12Å; V378-F437 HydrophobicContact CG2-CE2 4Å; I397-F437 HydrophobicContact CD1-CE1 4.25Å; I397-F437 HydrophobicContact CD1-CZ 3.92Å; L416-F437 HydrophobicContact CD1-CE2 3.79Å; L416-F437 HydrophobicContact CD1-CZ 3.75Å; Y421-F437 HydrophobicContact CD2-CE2 4.19Å; Y421-F437 HydrophobicContact CD2-CZ 4.47Å; Y421-F437 HydrophobicContact CG-CE2 4.25Å; Y421-F437 HydrophobicContact CG-CZ 4.07Å; Y421-F437 PolarHBondContact N-O 2.83Å; Y421-F437 PolarHBondContact O-N 3.27Å; V423-F437 HydrophobicContact CB-CD1 4.38Å; V423-F437 HydrophobicContact CB-CE1 3.78Å; V423-F437 HydrophobicContact CG1-CD1 4.21Å; V423-F437 HydrophobicContact CG1-CE1 4.1Å; F437-I439 HydrophobicContact CD2-CD1 3.82Å; F437-I439 HydrophobicContact CD2-CG1 4.36Å; F437-I439 HydrophobicContact CE2-CD1 3.63Å; F437-I439 HydrophobicContact CE2-CG1 4.01Å; F437-T445 HydrophobicContact CD2-CG2 4.46Å; F437-L447 HydrophobicContact CB-CD1 4.4Å; F437-L447 HydrophobicContact CB-CD2 4.13Å; F437-L447 HydrophobicContact CD1-CD2 3.75Å; F437-L447 HydrophobicContact CE1-CD2 4.32Å; F437-L447 HydrophobicContact CG-CD2 3.91Å
438	V	97	Very high	93.3	Very high	59 Å²	59	79.4 Å²	79.4	36%	0.358	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.8	-178.8	-176.8	0	0	0	0	108.9	G419 Y420 V440 T445	G419-V438 WeakPolarHBondContact O-CA 3.27Å; Y420-V438 HydrophobicContact CD1-CG1 4.46Å; Y420-V438 HydrophobicContact CD1-CG2 3.48Å; Y420-V438 VanDerWaalsContact CD1-CG2 3.48Å; Y420-V438 HydrophobicContact CE1-CG1 4.29Å; Y420-V438 HydrophobicContact CE1-CG2 3.55Å; Y420-V438 HydrophobicContact CG-CG2 4.42Å; V438-V440 HydrophobicContact CG1-CG1 4.46Å; V438-T445 WeakPolarHBondContact O-CB 3.31Å; V438-T445 WeakPolarHBondContact O-CG2 3.14Å; V438-T445 PolarHBondContact O-OG1 3.36Å
439	I	96.6	Very high	93.5	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	129.7	169.3	-57.3	-55	0	0	0	109	G377 V378 L416 L417 P418 G419 Y421 F437 T445	G377-I439 VanDerWaalsContact O-CD1 3.28Å; G377-I439 WeakPolarHBondContact O-CD1 3.12Å; V378-I439 HydrophobicContact CB-CD1 3.94Å; L416-I439 HydrophobicContact CB-CG1 3.96Å; L416-I439 HydrophobicContact CD1-CG1 4.25Å; L417-I439 WeakPolarHBondContact O-CB 3Å; L417-I439 WeakPolarHBondContact O-CG2 3.25Å; P418-I439 VanDerWaalsContact CA-O 3.31Å; P418-I439 WeakPolarHBondContact CA-O 3.49Å; G419-I439 PolarHBondContact N-O 3.19Å; G419-I439 VanDerWaalsContact N-O 3.14Å; G419-I439 PolarHBondContact O-N 3.03Å; Y421-I439 HydrophobicContact CD2-CB 4.46Å; Y421-I439 HydrophobicContact CD2-CG1 3.72Å; Y421-I439 HydrophobicContact CE2-CB 4.11Å; Y421-I439 HydrophobicContact CE2-CG1 3.66Å; F437-I439 HydrophobicContact CD2-CD1 3.82Å; F437-I439 HydrophobicContact CD2-CG1 4.36Å; F437-I439 HydrophobicContact CE2-CD1 3.63Å; F437-I439 HydrophobicContact CE2-CG1 4.01Å; I439-T445 WeakPolarHBondContact CD1-OG1 3.41Å
440	V	91.7	Very high	93.7	Very high	84 Å²	84	70.8 Å²	70.8	51%	0.509	37%	0.367	S	S	.	.			trans	-111.9	158.9	172.3	-63.3	0	0	0	0	109.8	V438 Q442	V438-V440 HydrophobicContact CG1-CG1 4.46Å; V440-Q442 PolarHBondContact O-N 3.18Å
441	E	81.3	Confident	93.8	Very high	146 Å²	146	68.8 Å²	68.8	68%	0.682	36%	0.359	S	S	*	.	S	Bend	trans	-70.2	-28.9	-167.8	-167.4	170.3	-169.4	0	0	114.5	P418	P418-E441 HydrophobicContact CG-CB 4.02Å; P418-E441 HydrophobicContact CG-CG 4.37Å
442	Q	73.8	Confident	93.8	Very high	165 Å²	165	72 Å²	72	77%	0.771	37%	0.366	S	S	*	.	S	Bend	trans	-90.1	-28.6	-164.6	-65.1	170.7	1.2	0	0	114.5	V440	V440-Q442 PolarHBondContact O-N 3.18Å
443	H	80.4	Confident	93.7	Very high	130 Å²	130	71 Å²	71	60%	0.602	36%	0.36	S	S	*	.	S	Bend	trans	-145.7	147.5	-173	-61.1	93.4	0	0	0	110.9
444	P	88.8	Confident	93.4	Very high	40 Å²	40	69 Å²	69	26%	0.26	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.5	137.4	172	26.6	-31.1	0	0	0	110.1	H375 G377 Q379 L446	H375-P444 VanDerWaalsContact O-CB 3.29Å; H375-P444 WeakPolarHBondContact O-CB 3.24Å; H375-P444 VanDerWaalsContact O-CD 3.25Å; H375-P444 WeakPolarHBondContact O-CD 3.42Å; H375-P444 VanDerWaalsContact O-CG 3.25Å; H375-P444 WeakPolarHBondContact O-CG 3.47Å; G377-P444 CarbonylContact O-C 3.58Å; G377-P444 VanDerWaalsContact O-CA 3.25Å; G377-P444 WeakPolarHBondContact O-CA 3.43Å; Q379-P444 HydrophobicContact CG-CB 4.29Å; Q379-P444 VanDerWaalsContact NE2-CG 3.33Å; P444-L446 PolarHBondContact O-N 3.27Å
445	T	95.3	Very high	92.6	Very high	29 Å²	29	74.1 Å²	74.1	18%	0.178	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122	174	-61.8	0	0	0	0	109.2	G377 V378 Q379 F437 V438 I439	G377-T445 PolarHBondContact O-N 3.07Å; V378-T445 WeakPolarHBondContact CA-O 3.23Å; V378-T445 WeakPolarHBondContact CG2-O 3.44Å; Q379-T445 PolarHBondContact N-O 3.08Å; Q379-T445 VanDerWaalsContact O-O 3.13Å; F437-T445 HydrophobicContact CD2-CG2 4.46Å; V438-T445 WeakPolarHBondContact O-CB 3.31Å; V438-T445 WeakPolarHBondContact O-CG2 3.14Å; V438-T445 PolarHBondContact O-OG1 3.36Å; I439-T445 WeakPolarHBondContact CD1-OG1 3.41Å
446	L	95.8	Very high	90.6	Very high	119 Å²	119	83.2 Å²	83.2	62%	0.623	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	120.1	171.9	-174.9	67.1	0	0	0	109.9	Q379 P444	Q379-L446 HydrophobicContact CG-CD1 4.47Å; Q379-L446 CarbonylContact O-C 3.53Å; Q379-L446 VanDerWaalsContact O-CA 3.29Å; Q379-L446 WeakPolarHBondContact O-CA 3.48Å; P444-L446 PolarHBondContact O-N 3.27Å
447	L	97	Very high	88.4	Confident	21 Å²	21	85.2 Å²	85.2	11%	0.11	43%	0.428	C	S	.	.			trans	-131.9	105.6	-177.7	-178.6	65.8	0	0	0	111.6	V378 Q379 G380 F381 F412 V423 V435 F437 V449	V378-L447 HydrophobicContact CG2-CB 3.6Å; V378-L447 HydrophobicContact CG2-CD2 4.08Å; V378-L447 HydrophobicContact CG2-CG 4.5Å; Q379-L447 PolarHBondContact O-N 3.19Å; G380-L447 WeakPolarHBondContact CA-O 3.4Å; F381-L447 PolarHBondContact N-O 3.42Å; F412-L447 WeakPolarHBondContact CE1-O 3.36Å; F412-L447 HydrophobicContact CZ-CB 4.29Å; F412-L447 HydrophobicContact CZ-CD2 4.44Å; F412-L447 HydrophobicContact CZ-CG 4.48Å; F412-L447 VanDerWaalsContact CZ-O 3.3Å; F412-L447 WeakPolarHBondContact CZ-O 3.13Å; V423-L447 HydrophobicContact CG1-CD2 3.65Å; V435-L447 HydrophobicContact CG1-CD1 3.93Å; F437-L447 HydrophobicContact CB-CD1 4.4Å; F437-L447 HydrophobicContact CB-CD2 4.13Å; F437-L447 HydrophobicContact CD1-CD2 3.75Å; F437-L447 HydrophobicContact CE1-CD2 4.32Å; F437-L447 HydrophobicContact CG-CD2 3.91Å; L447-V449 HydrophobicContact CD2-CG2 4.5Å; L447-V449 HydrophobicContact CG-CG2 4.19Å
448	N	97.5	Very high	85.8	Confident	83 Å²	83	93 Å²	93	44%	0.444	46%	0.464	S	S	.	.			trans	-96.3	135.3	172.8	-65.8	-11.2	0	0	0	110.7	F381	F381-N448 WeakPolarHBondContact CD2-OD1 3.29Å; F381-N448 PolarHBondContact N-OD1 2.78Å; F381-N448 VanDerWaalsContact N-OD1 3.14Å; F381-N448 CarbonylContact O-C 3.54Å; F381-N448 WeakPolarHBondContact O-CA 3.46Å
449	V	98	Very high	83.4	Confident	0 Å²	0	93.2 Å²	93.2	0%	0	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.2	-176.9	-175.4	0	0	0	0	109.7	F381 V382 F383 V425 R433 V435 L447 L451	F381-V449 PolarHBondContact O-N 3.32Å; V382-V449 CarbonylContact C-O 3.56Å; V382-V449 VanDerWaalsContact CA-O 3.27Å; V382-V449 WeakPolarHBondContact CA-O 3.25Å; V382-V449 HydrophobicContact CG2-CB 4.45Å; F383-V449 PolarHBondContact N-O 2.89Å; V425-V449 HydrophobicContact CB-CG1 4.36Å; V425-V449 HydrophobicContact CG2-CG1 4.11Å; V425-V449 HydrophobicContact CG2-CG2 4.31Å; R433-V449 HydrophobicContact CG-CG1 4.46Å; V435-V449 HydrophobicContact CG2-CG1 4.12Å; V435-V449 HydrophobicContact CG2-CG2 4.21Å; L447-V449 HydrophobicContact CD2-CG2 4.5Å; L447-V449 HydrophobicContact CG-CG2 4.19Å; V449-L451 HydrophobicContact CG1-CD2 4.25Å
450	T	98	Very high	80.9	Confident	46 Å²	46	100.4 Å²	100.4	28%	0.282	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	119.4	171.9	-52.1	0	0	0	0	110.2	F383 D384 P385 R433	F383-T450 CarbonylContact O-C 3.49Å; F383-T450 VanDerWaalsContact O-CA 3.27Å; F383-T450 WeakPolarHBondContact O-CA 3.36Å; D384-T450 WeakPolarHBondContact O-CG2 3.43Å; P385-T450 HydrophobicContact CG-CG2 4.47Å; R433-T450 WeakPolarHBondContact CD-O 3.49Å; R433-T450 PolarHBondContact NH1-O 3.49Å
451	L	97.7	Very high	78.5	Confident	0 Å²	0	99 Å²	99	0%	0	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-87.7	140.3	174.5	-65.2	-176.4	0	0	0	110.8	V382 F383 P385 I390 V425 A427 F430 R433 V449	V382-L451 HydrophobicContact CG1-CD1 3.92Å; V382-L451 HydrophobicContact CG1-CG 3.88Å; F383-L451 PolarHBondContact O-N 2.87Å; P385-L451 VanDerWaalsContact CD-O 3.31Å; P385-L451 WeakPolarHBondContact CD-O 3.34Å; I390-L451 HydrophobicContact CD1-CB 3.92Å; I390-L451 HydrophobicContact CD1-CD1 3.96Å; I390-L451 HydrophobicContact CD1-CG 4.22Å; V425-L451 HydrophobicContact CB-CD2 4.16Å; V425-L451 HydrophobicContact CG1-CD1 4.04Å; V425-L451 HydrophobicContact CG1-CD2 4.03Å; V425-L451 HydrophobicContact CG1-CG 4.32Å; A427-L451 HydrophobicContact CB-CD1 3.54Å; F430-L451 HydrophobicContact CB-CB 3.84Å; F430-L451 HydrophobicContact CB-CD1 4.04Å; F430-L451 HydrophobicContact CD1-CB 3.55Å; F430-L451 HydrophobicContact CE1-CB 4.34Å; F430-L451 HydrophobicContact CG-CB 3.83Å; F430-L451 HydrophobicContact CG-CD1 4.27Å; R433-L451 HydrophobicContact CB-CD2 3.61Å; V449-L451 HydrophobicContact CG1-CD2 4.25Å
452	Q	96.6	Very high	76.6	Confident	109 Å²	109	98.6 Å²	98.6	51%	0.509	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-94.1	137.4	177	-64.4	-61.6	-32.9	0	0	109.9	F430 A431 S454	F430-Q452 CarbonylContact C-O 3.57Å; F430-Q452 WeakPolarHBondContact CA-O 3.08Å; A431-Q452 PolarHBondContact N-O 3.14Å; Q452-S454 PolarHBondContact O-N 3.15Å
453	P	94.5	Very high	75	Confident	77 Å²	77	99 Å²	99	50%	0.5	53%	0.532	S	S	.	.	B	Isolated β-bridge	trans	-53.6	137.4	174.3	-26.4	34.1	0	0	0	111.1	P385 F430 K455	P385-P453 HydrophobicContact CG-CG 4.42Å; F430-P453 HydrophobicContact CE1-CG 4.42Å; P453-K455 PolarHBondContact O-N 3.38Å
454	S	90.4	Very high	73.1	Confident	60 Å²	60	95.3 Å²	95.3	42%	0.42	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-62.2	134.2	171.2	60.5	0	0	0	0	108.9	G429 Q452 R456	G429-S454 WeakPolarHBondContact O-CB 3.42Å; G429-S454 PolarHBondContact O-N 2.76Å; G429-S454 PolarHBondContact O-OG 3.11Å; Q452-S454 PolarHBondContact O-N 3.15Å; S454-R456 PolarHBondContact O-N 2.97Å
455	K	80	Confident	70.9	Confident	206 Å²	206	100.4 Å²	100.4	90%	0.896	56%	0.563	S	S	*	*			trans	-61.7	113.9	173.5	-69.5	-174.8	179.2	-177.4	0	107.5	P453 L457	P453-K455 PolarHBondContact O-N 3.38Å; K455-L457 PolarHBondContact O-N 3.04Å
456	R	57.6	Low	68.7	Low	216 Å²	216	102.2 Å²	102.2	82%	0.815	59%	0.588	S	S	*	*			trans	-56.4	128.2	162.4	-96.5	-173.8	180	-172.1	0.6	106.7	S454 E458	S454-R456 PolarHBondContact O-N 2.97Å; R456-E458 HydrophobicContact CB-CG 4.13Å; R456-E458 PolarHBondContact O-N 3.04Å
457	L	50.6	Low	66.3	Low	180 Å²	180	99.8 Å²	99.8	94%	0.942	59%	0.591	S	S	*	*			trans	-66	83.7	156.7	-89.2	147.8	0	0	0	106.6	K455 G459	K455-L457 PolarHBondContact O-N 3.04Å; L457-G459 PolarHBondContact O-N 3.2Å; L457-G459 VanDerWaalsContact O-N 3.07Å
458	E	43.3	Very low	63.4	Low	178 Å²	178	104.7 Å²	104.7	83%	0.832	62%	0.622	S	S	*	*			trans	-69.6	97	164.9	-73	-171.4	163.5	0	0	107.4	R456	R456-E458 HydrophobicContact CB-CG 4.13Å; R456-E458 PolarHBondContact O-N 3.04Å
459	G	46.2	Very low	60.3	Low	64 Å²	64	106.6 Å²	106.6	66%	0.66	64%	0.638	S	S	*	*			trans	-164.7	27.6	-174	0	0	0	0	0	114.9	L457	L457-G459 PolarHBondContact O-N 3.2Å; L457-G459 VanDerWaalsContact O-N 3.07Å
460	I	44.3	Very low	57.2	Low	155 Å²	155	113.6 Å²	113.6	80%	0.795	68%	0.681	S	S	*	*			trans	-131.9	97.8	160.3	-54.4	179.6	0	0	0	106.4
461	G	42.3	Very low	54.2	Low	55 Å²	55	115.2 Å²	115.2	57%	0.567	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-61.5	172	173.3	0	0	0	0	0	112.2	M463	G461-M463 PolarHBondContact O-N 3.02Å
462	P	40.8	Very low	51	Low	137 Å²	137	118.3 Å²	118.3	89%	0.89	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-59.3	127.5	-174.5	23.6	-31.1	0	0	0	110.9	G464	P462-G464 PolarHBondContact O-N 3.21Å
463	M	40.8	Very low	48.4	Very low	173 Å²	173	120.5 Å²	120.5	85%	0.852	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-63.3	120.6	174.7	-72.3	-133.5	-155.5	0	0	110.1	G461	G461-M463 PolarHBondContact O-N 3.02Å
464	G	39.5	Very low	45.4	Very low	53 Å²	53	123.2 Å²	123.2	55%	0.546	77%	0.774	S	S	.	*	P	Polyproline II helix	trans	-70.9	157.8	164.8	0	0	0	0	0	111.6	P462 G466	P462-G464 PolarHBondContact O-N 3.21Å; G464-G466 PolarHBondContact O-N 3.38Å
465	P	42.7	Very low	42.7	Very low	147 Å²	147	122.8 Å²	122.8	96%	0.955	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	106.6	-178.3	28.4	-31.3	0	0	0	109.5
466	G	49.4	Very low	40.7	Very low	68 Å²	68	119.5 Å²	119.5	70%	0.701	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	161	-13.3	176.7	0	0	0	0	0	118	G464 V468	G464-G466 PolarHBondContact O-N 3.38Å; G466-V468 PolarHBondContact O-N 3.4Å; G466-V468 VanDerWaalsContact O-N 3.12Å
467	G	45.6	Very low	39.6	Very low	68 Å²	68	113 Å²	113	70%	0.701	78%	0.779	S	S	*	*			trans	57.2	30.6	156.8	0	0	0	0	0	119.7
468	V	35.1	Very low	38.5	Very low	123 Å²	123	107.6 Å²	107.6	75%	0.745	77%	0.767	S	S	*	*			trans	-142.5	126.2	167.6	-169.2	0	0	0	0	111.5	G466	G466-V468 PolarHBondContact O-N 3.4Å; G466-V468 VanDerWaalsContact O-N 3.12Å
469	P	32.9	Very low	38	Very low	123 Å²	123	106.7 Å²	106.7	80%	0.799	77%	0.767	S	S	*	*			trans	-88.2	135.6	172.2	28.6	-21.1	0	0	0	111.8
470	V	33.9	Very low	37.2	Very low	147 Å²	147	114.5 Å²	114.5	89%	0.891	78%	0.778	S	S	*	*			trans	-97.1	117.4	172.3	177	0	0	0	0	109.5
471	G	34.9	Very low	36.5	Very low	81 Å²	81	117.2 Å²	117.2	84%	0.835	78%	0.779	S	S	*	*	S	Bend	trans	70.3	111.2	148.5	0	0	0	0	0	118.8
472	G	29	Very low	35.8	Very low	65 Å²	65	119 Å²	119	67%	0.67	78%	0.78	S	S	*	*			trans	143.8	99.6	157.7	0	0	0	0	0	113.7	V474	G472-V474 PolarHBondContact O-N 3.07Å
473	V	41.7	Very low	35	Very low	154 Å²	154	119.5 Å²	119.5	93%	0.933	77%	0.774	S	S	*	*			trans	-10.6	106.7	172.9	-171	0	0	0	0	115.5
474	V	33.3	Very low	34.4	Very low	135 Å²	135	115.8 Å²	115.8	82%	0.818	76%	0.762	S	S	*	*			trans	-108.4	104	168.1	-175.1	0	0	0	0	107.5	G472	G472-V474 PolarHBondContact O-N 3.07Å
475	G	32.4	Very low	33.8	Very low	50 Å²	50	116.9 Å²	116.9	52%	0.515	76%	0.762	S	S	.	*			trans	-62.4	152.2	162.3	0	0	0	0	0	109.4	G477	G475-G477 PolarHBondContact O-N 2.89Å
476	P	39.1	Very low	33.2	Very low	137 Å²	137	116 Å²	116	89%	0.89	76%	0.756	S	S	*	*			trans	-67.1	101.6	-174.3	26.2	-29.7	0	0	0	109.3	G478	P476-G478 PolarHBondContact O-N 2.98Å
477	G	34.6	Very low	32.3	Very low	80 Å²	80	120.8 Å²	120.8	83%	0.825	76%	0.76	S	S	*	*			trans	-63	96.6	170.4	0	0	0	0	0	109.4	G475	G475-G477 PolarHBondContact O-N 2.89Å
478	G	27.5	Very low	32	Very low	67 Å²	67	122 Å²	122	69%	0.691	75%	0.748	S	S	*	*			trans	-78	130.1	159.6	0	0	0	0	0	108.4	P476 Y480	P476-G478 PolarHBondContact O-N 2.98Å; G478-Y480 PolarHBondContact O-N 2.65Å
479	L	31.8	Very low	32	Very low	159 Å²	159	124.5 Å²	124.5	83%	0.832	75%	0.745	S	S	*	*			trans	-37.5	139.1	140	-72.2	154.8	0	0	0	107.5	R481	L479-R481 PolarHBondContact O-N 3.01Å
480	Y	30.6	Very low	32.6	Very low	228 Å²	228	123.6 Å²	123.6	89%	0.894	73%	0.725	S	S	*	*			trans	-65.4	77.9	169.6	-147.7	-89	0	0	0	107.8	G478 P482	G478-Y480 PolarHBondContact O-N 2.65Å; Y480-P482 WeakPolarHBondContact O-CD 3.28Å
481	R	28.8	Very low	33.1	Very low	212 Å²	212	118 Å²	118	80%	0.8	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-75.3	116.6	154.6	-88.7	-175	173.9	-175.9	-1.4	103.6	L479 I483	L479-R481 PolarHBondContact O-N 3.01Å; R481-I483 PolarHBondContact O-N 3.47Å
482	P	27.1	Very low	33.5	Very low	91 Å²	91	118.4 Å²	118.4	59%	0.591	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-50.4	121.1	159	-17.7	29.8	0	0	0	106.5	Y480 P484	Y480-P482 WeakPolarHBondContact O-CD 3.28Å; P482-P484 WeakPolarHBondContact O-CD 3.42Å
483	I	25	Very low	34.3	Very low	148 Å²	148	119.5 Å²	119.5	76%	0.759	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-55.1	123	163	-63.9	171.7	0	0	0	104.5	R481 S485	R481-I483 PolarHBondContact O-N 3.47Å; I483-S485 PolarHBondContact O-N 2.79Å
484	P	27.5	Very low	34.1	Very low	95 Å²	95	115.4 Å²	115.4	62%	0.617	65%	0.65	S	S	*	*			trans	-58.7	115	169.9	-14.3	26.9	0	0	0	105.7	P482	P482-P484 WeakPolarHBondContact O-CD 3.42Å
485	S	27.3	Very low	34.1	Very low	76 Å²	76	114.8 Å²	114.8	53%	0.531	65%	0.649	S	S	.	*			trans	-45.6	134.4	163.4	-58.3	0	0	0	0	107.3	I483 Q487 H488	I483-S485 PolarHBondContact O-N 2.79Å; S485-Q487 PolarHBondContact O-N 2.9Å; S485-H488 PolarHBondContact O-N 3.45Å
486	P	30.7	Very low	34.4	Very low	128 Å²	128	120.5 Å²	120.5	83%	0.831	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	78.4	-171	27.7	-32.7	0	0	0	110.1
487	Q	30	Very low	34.2	Very low	170 Å²	170	118.5 Å²	118.5	79%	0.794	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178	-10.5	168.6	-103.9	166.5	32.3	0	0	112.8	S485 Y489	S485-Q487 PolarHBondContact O-N 2.9Å; Q487-Y489 PolarHBondContact O-N 3.06Å
488	H	39.9	Very low	34	Very low	94 Å²	94	117.7 Å²	117.7	44%	0.435	64%	0.642	S	S	.	*			trans	-92.1	79.8	-177.6	-68.3	-1.5	0	0	0	112.2	D401 S485	D401-H488 IonicContact OD1-CE1 2.86Å; D401-H488 IonicContact OD1-NE2 3.95Å; D401-H488 IonicContact OD2-CE1 3.33Å; S485-H488 PolarHBondContact O-N 3.45Å
489	Y	34.7	Very low	34	Very low	174 Å²	174	119.9 Å²	119.9	68%	0.682	65%	0.654	S	S	*	*			trans	-103.7	94.1	166.4	-150	-95.4	0	0	0	107.8	Q487 P491	Q487-Y489 PolarHBondContact O-N 3.06Å; Y489-P491 VanDerWaalsContact O-CD 3.27Å; Y489-P491 WeakPolarHBondContact O-CD 3.33Å
490	R	45	Very low	33.8	Very low	105 Å²	105	117.1 Å²	117.1	40%	0.396	65%	0.654	S	S	.	*	P	Polyproline II helix	trans	-67.3	116.6	156.8	-159.8	180	-156.9	-171.8	7.3	104.7	W335 G403	W335-R490 PolarHBondContact O-NH2 2.86Å; G403-R490 PolarHBondContact O-NH2 2.89Å
491	P	45.3	Very low	33.6	Very low	30 Å²	30	111.5 Å²	111.5	20%	0.195	65%	0.648	C	S	.	*	P	Polyproline II helix	trans	-58.7	131.3	178.8	-19.4	31.6	0	0	0	107.7	Y209 W335 Y489 V493	Y209-P491 HydrophobicContact CD2-CG 4.35Å; W335-P491 HydrophobicContact CH2-CG 4.38Å; W335-P491 HydrophobicContact CZ2-CB 3.81Å; W335-P491 HydrophobicContact CZ2-CG 3.71Å; W335-P491 PolarHBondContact NE1-O 3.29Å; Y489-P491 VanDerWaalsContact O-CD 3.27Å; Y489-P491 WeakPolarHBondContact O-CD 3.33Å; P491-V493 PolarHBondContact O-N 3.39Å
492	P	42.1	Very low	33.6	Very low	89 Å²	89	106.7 Å²	106.7	58%	0.578	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-53.3	139.2	176.6	19.8	-29.4	0	0	0	109.3	P494	P492-P494 WeakPolarHBondContact O-CD 3.21Å
493	V	46.5	Very low	33.4	Very low	87 Å²	87	109.5 Å²	109.5	53%	0.527	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-57	122.8	171.6	-178.3	0	0	0	0	106.7	P491	P491-V493 PolarHBondContact O-N 3.39Å
494	P	37	Very low	33.6	Very low	68 Å²	68	107.7 Å²	107.7	44%	0.442	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-57	133.9	-179.3	-23.2	31.9	0	0	0	110.3	P207 P492	P207-P494 HydrophobicContact CG-CG 4.26Å; P492-P494 WeakPolarHBondContact O-CD 3.21Å
495	P	33.1	Very low	33.5	Very low	123 Å²	123	106.9 Å²	106.9	80%	0.799	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-63	139	175.2	24	-30.9	0	0	0	110.5	A497	P495-A497 PolarHBondContact O-N 3.33Å
496	Y	38.8	Very low	33.5	Very low	170 Å²	170	110.4 Å²	110.4	67%	0.667	68%	0.678	S	S	*	*			trans	-66.1	110.2	177	-143.7	-88	0	0	0	109	D226 G498	D226-Y496 HydrophobicContact CB-CE2 4.02Å; D226-Y496 WeakPolarHBondContact OD1-CE2 3.41Å; D226-Y496 PolarHBondContact OD1-OH 3.14Å; Y496-G498 PolarHBondContact O-N 3.22Å
497	A	35.7	Very low	33.2	Very low	94 Å²	94	113.7 Å²	113.7	78%	0.777	68%	0.679	S	S	*	*			trans	-84.4	106.3	171.6	0	0	0	0	0	108.5	P495	P495-A497 PolarHBondContact O-N 3.33Å
498	G	29.1	Very low	33.1	Very low	63 Å²	63	110.5 Å²	110.5	65%	0.649	68%	0.676	S	S	*	*			trans	-56.4	140.2	168.9	0	0	0	0	0	110.7	Y496 A500	Y496-G498 PolarHBondContact O-N 3.22Å; G498-A500 PolarHBondContact O-N 2.94Å; G498-A500 VanDerWaalsContact O-N 3.14Å
499	A	29	Very low	32.6	Very low	113 Å²	113	111.6 Å²	111.6	93%	0.934	69%	0.689	S	S	*	*			trans	-56.3	115.7	-177.3	0	0	0	0	0	111.6
500	A	26.3	Very low	32.4	Very low	101 Å²	101	111 Å²	111	84%	0.835	70%	0.697	S	S	*	*			trans	-105.6	130.9	163.7	0	0	0	0	0	109.2	G498	G498-A500 PolarHBondContact O-N 2.94Å; G498-A500 VanDerWaalsContact O-N 3.14Å
501	S	27.8	Very low	31.6	Very low	110 Å²	110	110.4 Å²	110.4	77%	0.769	71%	0.708	S	S	*	*			trans	-83.8	167.4	-178.6	48.3	0	0	0	0	113.2
502	S	27.4	Very low	30.9	Very low	112 Å²	112	115.4 Å²	115.4	78%	0.783	73%	0.733	S	S	*	*			trans	73.1	144	174	79.6	0	0	0	0	115.1
503	D	23.9	Very low	30.3	Very low	150 Å²	150	114.4 Å²	114.4	80%	0.802	74%	0.739	S	S	*	*			cis	-160	172.9	4.7	-143.9	-30.3	0	0	0	109.6
504	S	29.4	Very low	29.5	Very low	109 Å²	109	117.4 Å²	117.4	76%	0.762	75%	0.751	S	S	*	*			trans	-62.2	151.6	-173.9	50.9	0	0	0	0	117.4
505	G	24.1	Very low	29.2	Very low	78 Å²	78	120.5 Å²	120.5	80%	0.804	76%	0.764	S	S	*	*			trans	-171	115.9	168.4	0	0	0	0	0	112.5
506	I	27.2	Very low	29.2	Very low	150 Å²	150	118.1 Å²	118.1	77%	0.769	75%	0.75	S	S	*	*			trans	-86.2	154.6	-173.6	-64	169	0	0	0	110.5
507	F	25.6	Very low	28.7	Very low	197 Å²	197	116.2 Å²	116.2	86%	0.864	75%	0.751	S	S	*	*			trans	85.7	133.5	178.5	-63.6	-79.4	0	0	0	115.1
508	S	27.1	Very low	28.6	Very low	103 Å²	103	120 Å²	120	72%	0.72	75%	0.747	S	S	*	*			cis	-160.8	132.4	14.7	46.9	0	0	0	0	111.3
509	T	30.5	Very low	29.1	Very low	118 Å²	118	120.6 Å²	120.6	72%	0.724	74%	0.74	S	S	*	*			trans	-43	130.2	150.1	-41.1	0	0	0	0	111.7
510	I	28.6	Very low	29.3	Very low	162 Å²	162	121.6 Å²	121.6	83%	0.831	73%	0.73	S	S	*	*			trans	164.7	83.5	143.6	-76.5	148.4	0	0	0	105.4
511	S	28.7	Very low	29.6	Very low	92 Å²	92	122.5 Å²	122.5	64%	0.643	72%	0.72	S	S	*	*	S	Bend	trans	-170.9	-11	168.3	41.5	0	0	0	0	112.6	G513	S511-G513 PolarHBondContact O-N 3.37Å
512	N	31.9	Very low	29.7	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	2.6	179.3	-67.9	-18.8	0	0	0	115.6
513	G	29.3	Very low	30.1	Very low	67 Å²	67	124.5 Å²	124.5	69%	0.691	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-21.1	-178	0	0	0	0	0	115.6	S511	S511-G513 PolarHBondContact O-N 3.37Å
514	L	29.7	Very low	30.4	Very low	151 Å²	151	123.2 Å²	123.2	79%	0.791	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-19	-171.1	-79.9	160.2	0	0	0	114.5	S516	L514-S516 VanDerWaalsContact C-N 3.32Å
515	N	30.8	Very low	30.5	Very low	133 Å²	133	123.9 Å²	123.9	71%	0.711	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-12.9	173.5	-76.1	-21.1	0	0	0	113.4	L517 S519	N515-L517 VanDerWaalsContact C-N 3.32Å; N515-L517 PolarHBondContact O-N 2.99Å; N515-S519 PolarHBondContact O-OG 3.49Å
516	S	31.6	Very low	30.8	Very low	73 Å²	73	126.5 Å²	126.5	51%	0.51	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	-13.4	-178.7	-177.5	0	0	0	0	114.3	L514 N520	L514-S516 VanDerWaalsContact C-N 3.32Å; S516-N520 PolarHBondContact O-ND2 3.4Å
517	L	29.3	Very low	31	Very low	130 Å²	130	125.1 Å²	125.1	68%	0.681	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.9	-23.9	-177.7	-137.8	85.1	0	0	0	113.2	N515	N515-L517 VanDerWaalsContact C-N 3.32Å; N515-L517 PolarHBondContact O-N 2.99Å
518	Y	33.5	Very low	31.4	Very low	174 Å²	174	120.6 Å²	120.6	68%	0.682	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-20.5	-170.4	-82.6	-84.2	0	0	0	114.8	N520	Y518-N520 VanDerWaalsContact C-N 3.35Å
519	S	39.3	Very low	31.6	Very low	74 Å²	74	121.8 Å²	121.8	52%	0.517	70%	0.701	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.4	-4.7	175.5	49.9	0	0	0	0	114.4	N515	N515-S519 PolarHBondContact O-OG 3.49Å
520	N	34.3	Very low	31.7	Very low	134 Å²	134	122.1 Å²	122.1	72%	0.717	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	-3.6	178.3	-76.9	-24.9	0	0	0	113.8	S516 Y518	S516-N520 PolarHBondContact O-ND2 3.4Å; Y518-N520 VanDerWaalsContact C-N 3.35Å
521	I	30.8	Very low	32	Very low	120 Å²	120	119 Å²	119	62%	0.615	69%	0.69	S	S	*	*	S	Bend	trans	-106.6	-18.3	-176.9	-66.1	176.9	0	0	0	112.6
522	F	30.6	Very low	32.2	Very low	175 Å²	175	121.3 Å²	121.3	77%	0.768	69%	0.694	S	S	*	*			trans	-131	94.7	174.8	-63.6	-75.6	0	0	0	110.2
523	G	35.9	Very low	32.3	Very low	89 Å²	89	120 Å²	120	92%	0.918	69%	0.691	S	S	*	*			trans	4.9	0	166.8	0	0	0	0	0	121.3	K349	K349-G523 PolarHBondContact NZ-OXT 3.04Å

Retrieved 523 of 523 residues in 179 ms (Link to these results)

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